1-(4,5-dimethyl-2-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4,5-dimethyl-2-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4,5-dimethyl-2-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4,5-dimethyl-2-propoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4,5-dimethyl-2-propoxy-phenyl)sulfonylisonipecotic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-4-9-23-15-10-12(2)13(3)11-16(15)24(21,22)18-7-5-14(6-8-18)17(19)20/h10-11,14H,4-9H2,1-3H3,(H,19,20)