3-chloranyl-2-methoxy-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-chloranyl-2-methoxy-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 3-chloro-2-methoxy-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 3-chloro-2-methoxy-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 3-chloro-2-methoxy-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 3-chloro-2-methoxy-5-piperidinosulfonyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C13H16ClNO5S/c1-20-12-10(13(16)17)7-9(8-11(12)14)21(18,19)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H,16,17)