2-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-methyl-5-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-methyl-5-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-methyl-5-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-methyl-5-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-10-4-3-7-15(9-10)20(18,19)12-6-5-11(2)13(8-12)14(16)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)