(E)-N-(4-bromophenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(4-bromophenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide Openeye Name: (E)-N-(4-bromophenyl)-2-cyano-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(4-bromophenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(4-bromophenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide Traditional Name: (E)-N-(4-bromophenyl)-2-cyano-3-(1-tosylindol-3-yl)acrylamide Formula: C25H18BrN3O3S MolecularWeight: 520.39772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H18BrN3O3S/c1-17-6-12-22(13-7-17)33(31,32)29-16-19(23-4-2-3-5-24(23)29)14-18(15-27)25(30)28-21-10-8-20(26)9-11-21/h2-14,16H,1H3,(H,28,30)/b18-14+