[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC(C3)C)C

InChI

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