5-(dimethylsulfamoyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]benzoic acid

Systemtic Name: 5-(dimethylsulfamoyl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]benzoic acid Openeye Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-5-(dimethylsulfamoyl)benzoic acid CAS Name: 2-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-5-(dimethylsulfamoyl)benzoic acid IUPAC Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-5-(dimethylsulfamoyl)benzoic acid Traditional Name: 2-[4-(3-acetylphenyl)sulfonylpiperazino]-5-(dimethylsulfamoyl)benzoic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N(C)C)C(=O)O

InChI

InChI=1S/C21H25N3O7S2/c1-15(25)16-5-4-6-17(13-16)33(30,31)24-11-9-23(10-12-24)20-8-7-18(14-19(20)21(26)27)32(28,29)22(2)3/h4-8,13-14H,9-12H2,1-3H3,(H,26,27)