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

Systemtic Name: [4-[(4-chlorophenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-chlorophenyl)methyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(4-chlorophenyl)methyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-chlorobenzyl)-methyl-carbamoyl]phenyl] ester Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O6S/c1-23(14-15-5-9-17(22)10-6-15)21(25)16-7-11-19(12-8-16)30-31(28,29)20-4-2-3-18(13-20)24(26)27/h2-13H,14H2,1H3