[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

InChI

InChI=1S/C21H29ClN2O5S/c1-15-10-16(2)13-23(12-15)20(25)14-29-21(26)18-11-17(6-7-19(18)22)30(27,28)24-8-4-3-5-9-24/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3