1-(3-methyl-4-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-methyl-4-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-methyl-4-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-methyl-4-propoxy-phenyl)sulfonylisonipecotic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C16H23NO5S/c1-3-10-22-15-5-4-14(11-12(15)2)23(20,21)17-8-6-13(7-9-17)16(18)19/h4-5,11,13H,3,6-10H2,1-2H3,(H,18,19)