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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-o-veratryl-propionamide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H32N2O5S/c1-30-22-9-7-8-20(24(22)31-2)18-25-23(27)15-12-19-10-13-21(14-11-19)32(28,29)26-16-5-3-4-6-17-26/h7-11,13-14H,3-6,12,15-18H2,1-2H3,(H,25,27)