(E)-N-[4-[azanyl(phenyl)amino]-2-methyl-4-oxidanylidene-3-sulfonyl-butan-2-yl]-2-oxidanylidene-4-phenyl-but-3-enamide

Systemtic Name: (E)-N-[4-[azanyl(phenyl)amino]-2-methyl-4-oxidanylidene-3-sulfonyl-butan-2-yl]-2-oxidanylidene-4-phenyl-but-3-enamide Openeye Name: (E)-N-[3-(N-aminoanilino)-1,1-dimethyl-3-oxo-2-sulfonyl-propyl]-2-oxo-4-phenyl-but-3-enamide CAS Name: (E)-N-[4-(N-aminoanilino)-2-methyl-4-oxo-3-sulfonylbutan-2-yl]-2-oxo-4-phenyl-3-butenamide IUPAC Name: (E)-N-[4-(N-aminoanilino)-2-methyl-4-oxo-3-sulfonylbutan-2-yl]-2-oxo-4-phenylbut-3-enamide Traditional Name: (E)-N-[3-(N-aminoanilino)-3-keto-1,1-dimethyl-2-sulfonyl-propyl]-2-keto-4-phenyl-but-3-enamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=S(=O)=O)C(=O)N(C1=CC=CC=C1)N)NC(=O)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-21(2,23-19(26)17(25)14-13-15-9-5-3-6-10-15)18(30(28)29)20(27)24(22)16-11-7-4-8-12-16/h3-14H,22H2,1-2H3,(H,23,26)/b14-13+