2-[4,5-bis(oxidanyl)-3-(thiophen-2-ylsulfonylamino)cyclohexen-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-(thiophen-2-ylsulfonylamino)cyclohexen-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4,5-dihydroxy-3-(2-thienylsulfonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4,5-dihydroxy-3-(thiophen-2-ylsulfonylamino)-1-cyclohexenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4,5-dihydroxy-3-(thiophen-2-ylsulfonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4,5-dihydroxy-3-(2-thienylsulfonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)N2CC3=CC=CC=C3CC2C(=O)N)NS(=O)(=O)C4=CC=CS4)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)N2CC3=CC=CC=C3CC2C(=O)N)NS(=O)(=O)C4=CC=CS4)O)O

InChI

InChI=1S/C21H23N3O6S2/c22-20(27)16-9-12-4-1-2-5-13(12)11-24(16)21(28)14-8-15(19(26)17(25)10-14)23-32(29,30)18-6-3-7-31-18/h1-8,15-17,19,23,25-26H,9-11H2,(H2,22,27)