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

Systemtic Name: 3-(3-methylbutylsulfonyl)-4-piperidin-1-yl-benzoic acid Openeye Name: 3-isopentylsulfonyl-4-(1-piperidyl)benzoic acid CAS Name: 3-(3-methylbutylsulfonyl)-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-(3-methylbutylsulfonyl)-4-piperidin-1-ylbenzoic acid Traditional Name: 3-isoamylsulfonyl-4-piperidino-benzoic acid Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCCC2

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCCC2

InChI

InChI=1S/C17H25NO4S/c1-13(2)8-11-23(21,22)16-12-14(17(19)20)6-7-15(16)18-9-4-3-5-10-18/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,19,20)