(E)-4-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-4-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-4-oxidanylidene-but-2-enamide Openeye Name: (E)-4-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-4-oxo-but-2-enamide CAS Name: (E)-4-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-4-oxo-2-butenamide IUPAC Name: (E)-4-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-4-oxobut-2-enamide Traditional Name: (E)-4-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-4-keto-but-2-enamide Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)C=CC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C(=O)N)C

InChI

InChI=1S/C20H17ClN2O4S/c1-11-7-12(2)9-14(8-11)28(26,27)20-15-10-13(21)3-4-16(15)23-19(20)17(24)5-6-18(22)25/h3-10,23H,1-2H3,(H2,22,25)/b6-5+