(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl) 3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (1-oxidanylidene-1-piperidin-1-yl-propan-2-yl) 3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-oxo-2-(1-piperidyl)ethyl] 3-[(4-chloro-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoic acid [1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-piperidin-1-ylpropan-2-yl) 3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chloro-3-nitro-phenyl)sulfonylamino]propionic acid (2-keto-1-methyl-2-piperidino-ethyl) ester Formula: C17H22ClN3O7S MolecularWeight: 447.89048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCCC1)OC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H22ClN3O7S/c1-12(17(23)20-9-3-2-4-10-20)28-16(22)7-8-19-29(26,27)13-5-6-14(18)15(11-13)21(24)25/h5-6,11-12,19H,2-4,7-10H2,1H3