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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-isopropylphenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-(p-cumenylsulfonylamino)benzoic acid Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-17(2)18-4-7-20(8-5-18)32(30,31)25-19-6-9-22(21(16-19)23(28)29)27-14-12-26(13-15-27)11-3-10-24/h4-9,16-17,25H,3,11-15H2,1-2H3,(H,28,29)