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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-(methylsulfonylamino)benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(methanesulfonamido)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-(methanesulfonamido)benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(methanesulfonamido)benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(methanesulfonamido)benzoic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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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)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14(24)15-3-6-17(7-4-15)22-9-11-23(12-10-22)19-8-5-16(21-29(2,27)28)13-18(19)20(25)26/h3-8,13,21H,9-12H2,1-2H3,(H,25,26)