3-(3-ethylpiperidin-1-yl)sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-(3-ethylpiperidin-1-yl)sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[(3-ethyl-1-piperidyl)sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(3-ethyl-1-piperidinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(3-ethylpiperidin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(3-ethylpiperidino)sulfonyl-4-methyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C15H21NO4S/c1-3-12-5-4-8-16(10-12)21(19,20)14-9-13(15(17)18)7-6-11(14)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,18)