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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-pyridin-2-ylethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-pyridyl)ethyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[1-(2-pyridinyl)ethyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-pyridin-2-ylethyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-pyridyl)ethyl]acrylamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O3S/c1-18(21-8-4-5-15-23-21)24-22(26)14-11-19-9-12-20(13-10-19)29(27,28)25-16-6-2-3-7-17-25/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3,(H,24,26)/b14-11+