2,4-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2,4-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,4-dimethyl-5-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2,4-dimethyl-5-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2,4-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2,4-dimethyl-5-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)C)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)C)C

InChI

InChI=1S/C15H21NO4S/c1-10-5-4-6-16(9-10)21(19,20)14-8-13(15(17)18)11(2)7-12(14)3/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)