3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-homoveratryl-N-methyl-propionamide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H36N2O5S/c1-27(19-16-22-10-14-24(32-2)25(20-22)33-3)26(29)15-11-21-8-12-23(13-9-21)34(30,31)28-17-6-4-5-7-18-28/h8-10,12-14,20H,4-7,11,15-19H2,1-3H3