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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyanophenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyanophenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-cyanophenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyanophenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-cyanophenyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O3S/c23-17-19-5-10-20(11-6-19)24-22(26)14-9-18-7-12-21(13-8-18)29(27,28)25-15-3-1-2-4-16-25/h5-14H,1-4,15-16H2,(H,24,26)/b14-9+