SEH-48-RK4

Type : Carboxamide, Sulfur Compound, Sulfonamide

Chemical_Nomenclature : N-(2,4-Dichlorobenzyl)-5-tosylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide || (3aR,6aS)-N-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide

Canonical SMILES : C1=C(C=C(C(=C1)CNC(N2C[C@@H]3[C@H](C2)CN(C3)[S](C4=CC=C(C=C4)C)(=O)=O)=O)Cl)Cl || Cc1ccc(cc1)S(=O)(=O)N2C[C@H]3CC(C[C@H]3C2)C(=O)NCc4ccc(cc4Cl)Cl || CC1=CC=C(C=C1)S(=O)(=O)N2CC3CN(CC3C2)C(=O)NCC4=C(C=C(C=C4)Cl)Cl

InChI : InChI=1S\/C21H23Cl2N3O3S\/c1-14-2-6-19(7-3-14)30(28,29)26-12-16-10-25(11-17(16)13-26)21(27)24-9-15-4-5-18(22)8-20(15)23\/h2-8,16-17H,9-13H2,1H3,(H,24,27)\/t16-,17+ || InChI=1S\/C22H24Cl2N2O3S\/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24\/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)\/t16-,17+,18-

InChIKey : SCQXAOYLXUOAEA-CALCHBBNSA-N || LGIZBXBXVOKOLX-BCDXTJNWSA-N

Other name(s) : W6O  ||  (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide

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Families : SEH-48-RK4 ligand of proteins in family
Epoxide_hydrolase

Structure :
8QMZ

Protein :
human-EPHX2