[4-[(2-piperidin-1-ylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-piperidin-1-ylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[2-(1-piperidyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[2-(1-piperidinyl)anilino]methyl]phenyl] ester IUPAC Name: [4-[(2-piperidin-1-ylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-piperidinophenyl)carbamoyl]phenyl] ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S/c28-24(25-22-9-2-3-10-23(22)26-15-4-1-5-16-26)18-11-13-20(14-12-18)33-34(31,32)21-8-6-7-19(17-21)27(29)30/h2-3,6-14,17H,1,4-5,15-16H2,(H,25,28)