[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl] ester Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H19ClN2O6S/c1-15-5-8-19(25(27)28)14-21(15)32(29,30)31-20-9-6-17(7-10-20)22(26)24-12-11-16-3-2-4-18(23)13-16/h2-10,13-14H,11-12H2,1H3,(H,24,26)