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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(3-methyl-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-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H29ClN2O5S/c1-15-5-3-9-23(12-15)20(25)14-29-21(26)17-7-8-18(22)19(11-17)30(27,28)24-10-4-6-16(2)13-24/h7-8,11,15-16H,3-6,9-10,12-14H2,1-2H3