2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid Formula: C20H21FN4O4S MolecularWeight: 432.468543

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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(=C3)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O4S/c21-15-3-1-4-17(13-15)30(28,29)23-16-5-6-19(18(14-16)20(26)27)25-11-9-24(10-12-25)8-2-7-22/h1,3-6,13-14,23H,2,8-12H2,(H,26,27)