[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5S/c1-12-3-8-15(26(2,23)24)9-16(12)18(22)25-11-17(21)20-10-13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3,(H,20,21)