5-(2-ethylpiperidin-1-yl)sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(2-ethylpiperidin-1-yl)sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[(2-ethyl-1-piperidyl)sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(2-ethyl-1-piperidinyl)sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-(2-ethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(2-ethylpiperidino)sulfonyl-2-methyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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