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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-diethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-diethoxyphenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(3,4-diethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-diethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3,4-diethoxyphenyl)acrylamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C25H32N2O5S/c1-3-31-23-15-12-21(19-24(23)32-4-2)26-25(28)16-11-20-9-13-22(14-10-20)33(29,30)27-17-7-5-6-8-18-27/h9-16,19H,3-8,17-18H2,1-2H3,(H,26,28)/b16-11+