(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethanoylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(2-acetylphenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-(2-acetylphenyl)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(2-acetylphenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enamide Traditional Name: (E)-N-(2-acetylphenyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H26N2O4S/c1-18(26)21-8-4-5-9-22(21)24-23(27)15-12-19-10-13-20(14-11-19)30(28,29)25-16-6-2-3-7-17-25/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H,24,27)/b15-12+