4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S2/c1-15-4-6-17(23)14-20(15)26-10-8-25(9-11-26)19-7-5-16(22(27)28)13-18(19)24-32(29,30)21-3-2-12-31-21/h2-7,12-14,24H,8-11H2,1H3,(H,27,28)