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

Systemtic Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C20H21ClN4O4S/c21-17-4-1-2-5-19(17)30(28,29)23-15-6-7-18(16(14-15)20(26)27)25-12-10-24(11-13-25)9-3-8-22/h1-2,4-7,14,23H,3,9-13H2,(H,26,27)