3-chloranyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-chloranyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-chloro-5-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-chloro-5-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-chloro-5-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-chloro-5-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4S/c1-9-3-2-4-15(8-9)20(18,19)12-6-10(13(16)17)5-11(14)7-12/h5-7,9H,2-4,8H2,1H3,(H,16,17)