methyl 4-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]butanoate CAS Name: 4-[[[4-[(3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]butanoate Traditional Name: 4-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]butyric acid methyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-28-17(22)6-3-11-19-18(23)13-7-9-14(10-8-13)20-29(26,27)16-5-2-4-15(12-16)21(24)25/h2,4-5,7-10,12,20H,3,6,11H2,1H3,(H,19,23)