[4-(cyclohexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(cyclohexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(cyclohexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(cyclohexylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclohexylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(cyclohexylcarbamoyl)phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-19(20-15-5-2-1-3-6-15)14-9-11-17(12-10-14)27-28(25,26)18-8-4-7-16(13-18)21(23)24/h4,7-13,15H,1-3,5-6H2,(H,20,22)