2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-(3-methylpiperidin-1-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(3-methyl-1-piperidyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(3-methyl-1-piperidinyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(3-methylpiperidin-1-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-(3-methylpiperidino)benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H18ClNO4S/c1-9-4-3-7-16(8-9)13-11(21(2,19)20)6-5-10(12(13)15)14(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)