[4-[3-[methyl(phenyl)amino]propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[3-[methyl(phenyl)amino]propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[3-(N-methylanilino)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[3-(N-methylanilino)propylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[3-(N-methylanilino)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[3-(N-methylanilino)propylcarbamoyl]phenyl] ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O6S/c1-25(19-7-3-2-4-8-19)16-6-15-24-23(27)18-11-13-21(14-12-18)32-33(30,31)22-10-5-9-20(17-22)26(28)29/h2-5,7-14,17H,6,15-16H2,1H3,(H,24,27)