methyl 1-[2-(2-chloranyl-4-methylsulfonyl-phenyl)ethanoylamino]-4-methyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(2-chloranyl-4-methylsulfonyl-phenyl)ethanoylamino]-4-methyl-cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(2-chloro-4-methylsulfonyl-phenyl)acetyl]amino]-4-methyl-cyclohexanecarboxylate CAS Name: 1-[[2-(2-chloro-4-methylsulfonylphenyl)-1-oxoethyl]amino]-4-methyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(2-chloro-4-methylsulfonylphenyl)acetyl]amino]-4-methylcyclohexane-1-carboxylate Traditional Name: 1-[[2-(2-chloro-4-mesyl-phenyl)acetyl]amino]-4-methyl-cyclohexanecarboxylic acid methyl ester Formula: C18H24ClNO5S MolecularWeight: 401.90486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)OC)NC(=O)CC2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1CCC(CC1)(C(=O)OC)NC(=O)CC2=C(C=C(C=C2)S(=O)(=O)C)Cl

InChI

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