4-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-[3-(3-thienyl)propanoyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-[1-oxo-3-(3-thiophenyl)propyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[3-(3-thienyl)propanoyl]piperazino]sulfonylbenzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-17(6-1-14-7-12-26-13-14)19-8-10-20(11-9-19)27(24,25)16-4-2-15(3-5-16)18(22)23/h2-5,7,12-13H,1,6,8-11H2,(H,22,23)