3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonylthiophene-2-carboxylic acid Openeye Name: 3-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 3-[4-[2-(4-methoxyphenyl)ethyl]piperidino]sulfonyl-2-thenoic acid Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C19H23NO5S2/c1-25-16-6-4-14(5-7-16)2-3-15-8-11-20(12-9-15)27(23,24)17-10-13-26-18(17)19(21)22/h4-7,10,13,15H,2-3,8-9,11-12H2,1H3,(H,21,22)