[4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[(1-phenyl-3-pyrrolidinyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(1-phenylpyrrolidin-3-yl)methylcarbamoyl]phenyl] ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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