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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-morpholinophenyl)acrylamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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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=CC=C3N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C25H31N3O4S/c29-25(26-23-7-3-4-8-24(23)27-17-19-32-20-18-27)14-11-21-9-12-22(13-10-21)33(30,31)28-15-5-1-2-6-16-28/h3-4,7-14H,1-2,5-6,15-20H2,(H,26,29)/b14-11+