[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[3-(2,3-dihydroindol-1-yl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3-indolin-1-ylpropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[3-(2,3-dihydroindol-1-yl)propylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[3-(2,3-dihydroindol-1-yl)propylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3-indolin-1-ylpropylcarbamoyl)phenyl] ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)CCCNC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)CCCNC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S/c28-24(25-14-4-15-26-16-13-18-5-1-2-8-23(18)26)19-9-11-21(12-10-19)33-34(31,32)22-7-3-6-20(17-22)27(29)30/h1-3,5-12,17H,4,13-16H2,(H,25,28)