[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-14-5-6-17(30(26,27)23-7-9-28-10-8-23)12-18(14)20(25)29-13-19(24)22-16-4-2-3-15(21)11-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,24)