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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-[4-(2-cyanoethyl)-1-piperazinyl]-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(2-cyanoethyl)piperazino]-3-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CCC#N)C

InChI

InChI=1S/C22H26N4O4S/c1-16-4-7-21(17(2)14-16)31(29,30)24-19-15-18(22(27)28)5-6-20(19)26-12-10-25(11-13-26)9-3-8-23/h4-7,14-15,24H,3,9-13H2,1-2H3,(H,27,28)