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

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H22ClNO5S/c1-11-5-3-4-6-14(11)19-16(20)10-24-17(21)12-7-8-13(18)15(9-12)25(2,22)23/h7-9,11,14H,3-6,10H2,1-2H3,(H,19,20)