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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5S/c1-4-27(20-22-11-15-24(32-2)25(19-22)33-3)26(29)16-12-21-9-13-23(14-10-21)34(30,31)28-17-7-5-6-8-18-28/h9-11,13-15,19H,4-8,12,16-18,20H2,1-3H3