methyl 2-[4-(3,5-dimethylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(3,5-dimethylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(3,5-dimethylpiperidine-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

InChI

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