[4-[1-(2-chlorophenyl)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[1-(2-chlorophenyl)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[1-(2-chlorophenyl)ethyl-methyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[1-(2-chlorophenyl)ethyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[1-(2-chlorophenyl)ethyl-methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[1-(2-chlorophenyl)ethyl-methyl-carbamoyl]phenyl] ester Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)N(C)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1Cl)N(C)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O6S/c1-15(20-8-3-4-9-21(20)23)24(2)22(26)16-10-12-18(13-11-16)31-32(29,30)19-7-5-6-17(14-19)25(27)28/h3-15H,1-2H3