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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H30N2O5S/c1-15-7-3-5-9-18(15)22-20(24)16-11-13-23(14-12-16)29(26,27)19-10-6-4-8-17(19)21(25)28-2/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3,(H,22,24)/t15-,18-/m0/s1