[4-[3-(4-dimethylaminophenyl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[3-(4-dimethylaminophenyl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[3-(4-dimethylaminophenyl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[3-(4-dimethylaminophenyl)propylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[3-(4-dimethylaminophenyl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[3-(4-dimethylaminophenyl)propylcarbamoyl]phenyl] ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O6S/c1-26(2)20-12-8-18(9-13-20)5-4-16-25-24(28)19-10-14-22(15-11-19)33-34(31,32)23-7-3-6-21(17-23)27(29)30/h3,6-15,17H,4-5,16H2,1-2H3,(H,25,28)