[4-[butyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[butyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[butyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(N-butylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[butyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[butyl(phenyl)carbamoyl]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-2-3-16-24(19-8-5-4-6-9-19)23(26)18-12-14-21(15-13-18)31-32(29,30)22-11-7-10-20(17-22)25(27)28/h4-15,17H,2-3,16H2,1H3