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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O4S/c1-2-29-22-10-6-5-9-21(22)24-23(26)16-13-19-11-14-20(15-12-19)30(27,28)25-17-7-3-4-8-18-25/h5-6,9-16H,2-4,7-8,17-18H2,1H3,(H,24,26)