(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethoxy-2-methyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethoxy-2-methyl-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethoxy-2-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4,5-dimethoxy-2-methyl-phenyl)acrylamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C24H30N2O5S/c1-18-16-22(30-2)23(31-3)17-21(18)25-24(27)13-10-19-8-11-20(12-9-19)32(28,29)26-14-6-4-5-7-15-26/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,27)/b13-10+