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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

InChI

InChI=1S/C21H24N4O5S/c1-30-17-4-6-18(7-5-17)31(28,29)23-16-3-8-20(19(15-16)21(26)27)25-13-11-24(12-14-25)10-2-9-22/h3-8,15,23H,2,10-14H2,1H3,(H,26,27)