(E)-4-[[4-(4-acetamidophenyl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(4-acetamidophenyl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-acetamidophenyl)sulfonylanilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(4-acetamidophenyl)sulfonylanilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-acetamidophenyl)sulfonylanilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(4-acetamidophenyl)sulfonylanilino]-4-keto-but-2-enoic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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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(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6S/c1-12(21)19-13-2-6-15(7-3-13)27(25,26)16-8-4-14(5-9-16)20-17(22)10-11-18(23)24/h2-11H,1H3,(H,19,21)(H,20,22)(H,23,24)/b11-10+