[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[cyclopropyl(phenyl)methyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenyl] ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c26-23(24-22(17-9-10-17)16-5-2-1-3-6-16)18-11-13-20(14-12-18)31-32(29,30)21-8-4-7-19(15-21)25(27)28/h1-8,11-15,17,22H,9-10H2,(H,24,26)