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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(4-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=C(C=C3)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O4S/c21-15-2-5-17(6-3-15)30(28,29)23-16-4-7-19(18(14-16)20(26)27)25-12-10-24(11-13-25)9-1-8-22/h2-7,14,23H,1,9-13H2,(H,26,27)