3-[(4-iodophenyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Systemtic Name: 3-[(4-iodophenyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-[(4-iodophenyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 3-[(4-iodophenyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 3-[(4-iodophenyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 3-[(4-iodophenyl)sulfonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C20H21IN2O7S2 MolecularWeight: 592.42441

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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=C(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C20H21IN2O7S2/c1-30-15-7-11-17(12-8-15)32(28,29)23-13-3-2-4-18(19(23)20(24)25)22-31(26,27)16-9-5-14(21)6-10-16/h2-3,5-12,18-19,22H,4,13H2,1H3,(H,24,25)