4-(4-butoxyphenyl)sulfonyl-1-methyl-piperidine-2-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-piperidine-2-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-piperidine-2-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-2-piperidinecarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-methylpiperidine-2-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-methyl-pipecolinic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CCN(C(C2)C(=O)O)C

InChI

InChI=1S/C17H25NO5S/c1-3-4-11-23-13-5-7-14(8-6-13)24(21,22)15-9-10-18(2)16(12-15)17(19)20/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,19,20)