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

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(methanesulfonamido)benzoic acid CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methanesulfonamido)benzoic acid Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(methanesulfonamido)benzoic acid Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4S/c1-13-3-5-15(20)12-18(13)23-9-7-22(8-10-23)17-6-4-14(19(24)25)11-16(17)21-28(2,26)27/h3-6,11-12,21H,7-10H2,1-2H3,(H,24,25)