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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-ethoxyphenyl)prop-2-enamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-ethoxyphenyl)-2-propenamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-p-phenetyl-acrylamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-2-29-21-12-10-20(11-13-21)24-23(26)16-9-19-7-14-22(15-8-19)30(27,28)25-17-5-3-4-6-18-25/h7-16H,2-6,17-18H2,1H3,(H,24,26)