3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-ethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-ethoxyphenyl)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-ethoxyphenyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[1-(4-ethoxyphenyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-ethoxyphenyl)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-p-phenetylethyl)propionamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H34N2O4S/c1-3-31-23-13-11-22(12-14-23)20(2)26-25(28)17-10-21-8-15-24(16-9-21)32(29,30)27-18-6-4-5-7-19-27/h8-9,11-16,20H,3-7,10,17-19H2,1-2H3,(H,26,28)