[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCCCC2

InChI

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