[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic 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)NCCC(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-15(23)21-16-6-8-17(9-7-16)29(26,27)20-11-10-19(25)28-14-18(24)22-12-4-2-3-5-13-22/h6-9,20H,2-5,10-14H2,1H3,(H,21,23)