[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C18H24ClNO5S MolecularWeight: 401.90486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClNO5S/c1-13-2-6-15(7-3-13)20-17(21)12-25-18(22)10-11-26(23,24)16-8-4-14(19)5-9-16/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,20,21)