1-(4-methoxyphenyl)sulfonyl-3-(phenylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-3-(phenylsulfonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-(benzenesulfonamido)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 3-(benzenesulfonamido)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 3-(benzenesulfonamido)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 3-(benzenesulfonamido)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O7S2/c1-29-15-10-12-17(13-11-15)31(27,28)22-14-6-5-9-18(19(22)20(23)24)21-30(25,26)16-7-3-2-4-8-16/h2-8,10-13,18-19,21H,9,14H2,1H3,(H,23,24)