4-chloranyl-2-(3-methylbutylsulfonyl)-3-piperidin-1-yl-benzoic acid

Systemtic Name: 4-chloranyl-2-(3-methylbutylsulfonyl)-3-piperidin-1-yl-benzoic acid Openeye Name: 4-chloro-2-isopentylsulfonyl-3-(1-piperidyl)benzoic acid CAS Name: 4-chloro-2-(3-methylbutylsulfonyl)-3-(1-piperidinyl)benzoic acid IUPAC Name: 4-chloro-2-(3-methylbutylsulfonyl)-3-piperidin-1-ylbenzoic acid Traditional Name: 4-chloro-2-isoamylsulfonyl-3-piperidino-benzoic acid Formula: C17H24ClNO4S MolecularWeight: 373.89476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=C(C=CC(=C1N2CCCCC2)Cl)C(=O)O

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=C(C=CC(=C1N2CCCCC2)Cl)C(=O)O

InChI

InChI=1S/C17H24ClNO4S/c1-12(2)8-11-24(22,23)16-13(17(20)21)6-7-14(18)15(16)19-9-4-3-5-10-19/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,21)