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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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