2,4-bis(chloranyl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[4-(3-thienylmethyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[4-(3-thiophenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-[4-(3-thenyl)piperazino]sulfonyl-benzoic acid Formula: C16H16Cl2N2O4S2 MolecularWeight: 435.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O4S2/c17-13-8-14(18)15(7-12(13)16(21)22)26(23,24)20-4-2-19(3-5-20)9-11-1-6-25-10-11/h1,6-8,10H,2-5,9H2,(H,21,22)