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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H27N3O6S/c1-14(19(25)28-13-18(24)22-11-5-3-4-6-12-22)21-29(26,27)17-9-7-16(8-10-17)20-15(2)23/h7-10,14,21H,3-6,11-13H2,1-2H3,(H,20,23)/t14-/m0/s1