[4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-methyl-4-(1-pyrrolidinyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-methyl-4-pyrrolidino-phenyl)carbamoyl]phenyl] ester Formula: C24H23N3O6S MolecularWeight: 481.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S/c1-17-15-19(26-13-2-3-14-26)9-12-23(17)25-24(28)18-7-10-21(11-8-18)33-34(31,32)22-6-4-5-20(16-22)27(29)30/h4-12,15-16H,2-3,13-14H2,1H3,(H,25,28)