4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-[4-(2-cyanoethyl)-1-piperazinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(2-cyanoethyl)piperazino]-3-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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