(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethyl-6-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-ethyl-6-methylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-ethyl-6-methyl-phenyl)acrylamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C24H30N2O3S/c1-3-21-10-8-9-19(2)24(21)25-23(27)16-13-20-11-14-22(15-12-20)30(28,29)26-17-6-4-5-7-18-26/h8-16H,3-7,17-18H2,1-2H3,(H,25,27)/b16-13+