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

Systemtic Name: 4-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[(2-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-methyl-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-methyl-3-(2-methylpiperidino)sulfonyl-benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-10-6-7-12(14(16)17)9-13(10)20(18,19)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)