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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-veratryl-propionamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H34N2O5S/c1-26(19-21-10-14-23(31-2)24(18-21)32-3)25(28)15-11-20-8-12-22(13-9-20)33(29,30)27-16-6-4-5-7-17-27/h8-10,12-14,18H,4-7,11,15-17,19H2,1-3H3