1-(3-butoxy-4-chloranyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-butoxy-4-chloranyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-butoxy-4-chloro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-butoxy-4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-butoxy-4-chlorophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-butoxy-4-chloro-phenyl)sulfonylisonipecotic acid Formula: C16H22ClNO5S MolecularWeight: 375.86758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl

InChI

InChI=1S/C16H22ClNO5S/c1-2-3-10-23-15-11-13(4-5-14(15)17)24(21,22)18-8-6-12(7-9-18)16(19)20/h4-5,11-12H,2-3,6-10H2,1H3,(H,19,20)