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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-10-8-13(15(17)18)9-14(12(10)3)21(19,20)16-7-5-4-6-11(16)2/h8-9,11H,4-7H2,1-3H3,(H,17,18)