[4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[4-(4-methylpiperazino)phenyl]carbamoyl]phenyl] ester Formula: C24H24N4O6S MolecularWeight: 496.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O6S/c1-26-13-15-27(16-14-26)20-9-7-19(8-10-20)25-24(29)18-5-11-22(12-6-18)34-35(32,33)23-4-2-3-21(17-23)28(30)31/h2-12,17H,13-16H2,1H3,(H,25,29)