methyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2,3-dimethylcyclohexyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(2,3-dimethylcyclohexyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H32N2O5S/c1-15-7-6-9-19(16(15)2)23-21(25)17-11-13-24(14-12-17)30(27,28)20-10-5-4-8-18(20)22(26)29-3/h4-5,8,10,15-17,19H,6-7,9,11-14H2,1-3H3,(H,23,25)