1-[5-(4-dimethylaminophenyl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[5-(4-dimethylaminophenyl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[[5-(4-dimethylaminophenyl)-2-thienyl]sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-(4-dimethylaminophenyl)-2-thiophenyl]sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(4-dimethylaminophenyl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[[5-(4-dimethylaminophenyl)-2-thienyl]sulfonyl]nipecotic acid Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H22N2O4S2/c1-19(2)15-7-5-13(6-8-15)16-9-10-17(25-16)26(23,24)20-11-3-4-14(12-20)18(21)22/h5-10,14H,3-4,11-12H2,1-2H3,(H,21,22)