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

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(5-chloro-2-thiophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C18H19ClN4O4S2 MolecularWeight: 454.95086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C18H19ClN4O4S2/c19-16-4-5-17(28-16)29(26,27)21-13-2-3-15(14(12-13)18(24)25)23-10-8-22(9-11-23)7-1-6-20/h2-5,12,21H,1,7-11H2,(H,24,25)