4-ethyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)C

InChI

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