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

Systemtic Name: [4-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[cyclopropyl(p-tolylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[cyclopropyl-[(4-methylphenyl)methyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[cyclopropyl-(4-methylbenzyl)carbamoyl]phenyl] ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O6S/c1-17-5-7-18(8-6-17)16-25(20-11-12-20)24(27)19-9-13-22(14-10-19)32-33(30,31)23-4-2-3-21(15-23)26(28)29/h2-10,13-15,20H,11-12,16H2,1H3