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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-homoveratryl-propionamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H34N2O5S/c1-31-23-13-9-21(19-24(23)32-2)15-16-26-25(28)14-10-20-7-11-22(12-8-20)33(29,30)27-17-5-3-4-6-18-27/h7-9,11-13,19H,3-6,10,14-18H2,1-2H3,(H,26,28)