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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(phenylsulfonylamino)benzoic acid Openeye Name: 5-(benzenesulfonamido)-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-(benzenesulfonamido)-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-(benzenesulfonamido)-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-(benzenesulfonamido)-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c21-9-4-10-23-11-13-24(14-12-23)19-8-7-16(15-18(19)20(25)26)22-29(27,28)17-5-2-1-3-6-17/h1-3,5-8,15,22H,4,10-14H2,(H,25,26)