[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C22H31ClN2O5S MolecularWeight: 471.00994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O5S/c1-15-5-4-8-25(13-15)31(28,29)20-10-18(6-7-19(20)23)22(27)30-14-21(26)24-11-16(2)9-17(3)12-24/h6-7,10,15-17H,4-5,8-9,11-14H2,1-3H3