[[4-(4-acetamidophenyl)sulfonylphenyl]amino]-phenyl-methanesulfonic acid

Systemtic Name: [[4-(4-acetamidophenyl)sulfonylphenyl]amino]-phenyl-methanesulfonic acid Openeye Name: [4-(4-acetamidophenyl)sulfonylanilino]-phenyl-methanesulfonic acid CAS Name: [4-(4-acetamidophenyl)sulfonylanilino]-phenylmethanesulfonic acid IUPAC Name: [4-(4-acetamidophenyl)sulfonylanilino]-phenylmethanesulfonic acid Traditional Name: [4-(4-acetamidophenyl)sulfonylanilino]-phenyl-methanesulfonic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C21H20N2O6S2/c1-15(24)22-17-7-11-19(12-8-17)30(25,26)20-13-9-18(10-14-20)23-21(31(27,28)29)16-5-3-2-4-6-16/h2-14,21,23H,1H3,(H,22,24)(H,27,28,29)