4-[4-(2-cyanoethyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-(methanesulfonamido)benzoic acid CAS Name: 4-[4-(2-cyanoethyl)-1-piperazinyl]-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-(methanesulfonamido)benzoic acid Traditional Name: 4-[4-(2-cyanoethyl)piperazino]-3-(methanesulfonamido)benzoic acid Formula: C15H20N4O4S MolecularWeight: 352.4087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CCC#N

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CCC#N

InChI

InChI=1S/C15H20N4O4S/c1-24(22,23)17-13-11-12(15(20)21)3-4-14(13)19-9-7-18(8-10-19)6-2-5-16/h3-4,11,17H,2,6-10H2,1H3,(H,20,21)