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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6S/c1-31-17-5-7-20(32-2)21(15-17)33(29,30)24-16-4-6-19(18(14-16)22(27)28)26-12-10-25(11-13-26)9-3-8-23/h4-7,14-15,24H,3,9-13H2,1-2H3,(H,27,28)