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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-(2-thienylsulfonylamino)benzoic acid Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H20N4O4S2/c19-6-2-7-21-8-10-22(11-9-21)16-5-4-14(13-15(16)18(23)24)20-28(25,26)17-3-1-12-27-17/h1,3-5,12-13,20H,2,7-11H2,(H,23,24)