[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H26N4O7S MolecularWeight: 490.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S/c1-15(21(27)24-17-7-9-18(10-8-17)34(23,31)32)33-22(28)16-6-11-19(20(14-16)26(29)30)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3,(H,24,27)(H2,23,31,32)