1-(4-chloranyl-2-methoxy-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-methoxy-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-chloro-2-methoxy-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-chloro-2-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-chloro-2-methoxy-phenyl)sulfonylisonipecotic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H16ClNO5S/c1-20-11-8-10(14)2-3-12(11)21(18,19)15-6-4-9(5-7-15)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)