2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-5-(2-thienylsulfonylamino)benzoic acid Formula: C23H25N3O4S2 MolecularWeight: 471.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O)C

InChI

InChI=1S/C23H25N3O4S2/c1-16-5-3-6-20(17(16)2)25-10-12-26(13-11-25)21-9-8-18(15-19(21)23(27)28)24-32(29,30)22-7-4-14-31-22/h3-9,14-15,24H,10-13H2,1-2H3,(H,27,28)