2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(phenylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(phenylsulfonylamino)benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(benzenesulfonamido)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-(benzenesulfonamido)benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(benzenesulfonamido)benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(benzenesulfonamido)benzoic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5S/c1-18(29)19-7-10-21(11-8-19)27-13-15-28(16-14-27)24-12-9-20(17-23(24)25(30)31)26-34(32,33)22-5-3-2-4-6-22/h2-12,17,26H,13-16H2,1H3,(H,30,31)