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

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyano-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyano-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-2-cyano-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyano-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-2-cyano-3-phenyl-acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H23N3O3S/c23-17-19(15-18-9-4-3-5-10-18)22(26)24-20-11-8-12-21(16-20)29(27,28)25-13-6-1-2-7-14-25/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,24,26)/b19-15+