methyl 2-[4-[(4-methylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-methylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-methylcyclohexyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4-methylcyclohexyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-methylcyclohexyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H30N2O5S/c1-15-7-9-17(10-8-15)22-20(24)16-11-13-23(14-12-16)29(26,27)19-6-4-3-5-18(19)21(25)28-2/h3-6,15-17H,7-14H2,1-2H3,(H,22,24)