3-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[(2-ethyl-1-piperidyl)sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(2-ethyl-1-piperidinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(2-ethylpiperidin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(2-ethylpiperidino)sulfonyl-4-methyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

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