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

Systemtic Name: 3-acetamido-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-acetamido-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 3-acetamido-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 3-acetamido-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 3-acetamido-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC=CCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NC1CC=CCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H20N2O6S/c1-11(19)17-14-5-3-4-10-18(15(14)16(20)21)25(22,23)13-8-6-12(24-2)7-9-13/h3-4,6-9,14-15H,5,10H2,1-2H3,(H,17,19)(H,20,21)