[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)CS(=O)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)CS(=O)C

InChI

InChI=1S/C18H25NO4S/c1-13-6-8-16(9-7-13)19-17(20)11-23-18(21)15-5-3-4-14(10-15)12-24(2)22/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,19,20)