[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H18ClNO6S/c1-11-7-15(16(25-2)9-14(11)19)20-17(21)10-26-18(22)12-5-4-6-13(8-12)27(3,23)24/h4-9H,10H2,1-3H3,(H,20,21)