3-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanylidene-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 3-[(4-acetamidophenyl)sulfonyl-isobutyl-amino]-2-oxo-azepane-1-carboxylic acid CAS Name: 3-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-2-oxo-1-azepanecarboxylic acid IUPAC Name: 3-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-2-oxoazepane-1-carboxylic acid Traditional Name: 3-[(4-acetamidophenyl)sulfonyl-isobutyl-amino]-2-keto-azepane-1-carboxylic acid Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCCCN(C1=O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CN(C1CCCCN(C1=O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H27N3O6S/c1-13(2)12-22(17-6-4-5-11-21(18(17)24)19(25)26)29(27,28)16-9-7-15(8-10-16)20-14(3)23/h7-10,13,17H,4-6,11-12H2,1-3H3,(H,20,23)(H,25,26)