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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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