5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 5-[(5-chloro-2-thiophenyl)sulfonylamino]-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-(4-phenylpiperazino)benzoic acid Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O4S2/c22-19-8-9-20(30-19)31(28,29)23-15-6-7-18(17(14-15)21(26)27)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-9,14,23H,10-13H2,(H,26,27)