1-[4-(3-thiophen-3-ylpropanoylamino)phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-(3-thiophen-3-ylpropanoylamino)phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[3-(3-thienyl)propanoylamino]phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[4-[[1-oxo-3-(3-thiophenyl)propyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(3-thiophen-3-ylpropanoylamino)phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[4-[3-(3-thienyl)propanoylamino]phenyl]sulfonylnipecotic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CSC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CSC=C3)C(=O)O

InChI

InChI=1S/C19H22N2O5S2/c22-18(8-3-14-9-11-27-13-14)20-16-4-6-17(7-5-16)28(25,26)21-10-1-2-15(12-21)19(23)24/h4-7,9,11,13,15H,1-3,8,10,12H2,(H,20,22)(H,23,24)