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

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]benzoic acid CAS Name: 3-(benzenesulfonamido)-4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-[4-(5-chloro-2-methyl-phenyl)piperazino]benzoic acid Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C24H24ClN3O4S/c1-17-7-9-19(25)16-23(17)28-13-11-27(12-14-28)22-10-8-18(24(29)30)15-21(22)26-33(31,32)20-5-3-2-4-6-20/h2-10,15-16,26H,11-14H2,1H3,(H,29,30)