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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethanoylphenyl)sulfonylamino]benzoic acid Openeye Name: 5-[(4-acetylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(4-acetylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-acetylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(4-acetylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-16(27)17-3-6-19(7-4-17)32(30,31)24-18-5-8-21(20(15-18)22(28)29)26-13-11-25(12-14-26)10-2-9-23/h3-8,15,24H,2,10-14H2,1H3,(H,28,29)