(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-4,5-dimethyl-2-thienyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acrylamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H25N3O3S2/c1-16-17(2)29-22(20(16)15-23)24-21(26)12-9-18-7-10-19(11-8-18)30(27,28)25-13-5-3-4-6-14-25/h7-12H,3-6,13-14H2,1-2H3,(H,24,26)/b12-9+