[4-[(3-pyrrolidin-1-ylcarbonylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-pyrrolidin-1-ylcarbonylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[3-[oxo(1-pyrrolidinyl)methyl]anilino]methyl]phenyl] ester IUPAC Name: [4-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] ester Formula: C24H21N3O7S MolecularWeight: 495.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c28-23(25-19-6-3-5-18(15-19)24(29)26-13-1-2-14-26)17-9-11-21(12-10-17)34-35(32,33)22-8-4-7-20(16-22)27(30)31/h3-12,15-16H,1-2,13-14H2,(H,25,28)