[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H32N2O5S/c1-16-3-7-19(8-4-16)23-21(25)15-29-22(26)18-5-9-20(10-6-18)30(27,28)24-13-11-17(2)12-14-24/h5-6,9-10,16-17,19H,3-4,7-8,11-15H2,1-2H3,(H,23,25)