3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-diethoxyphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-diethoxyphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-diethoxyphenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,5-diethoxyphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-diethoxyphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-diethoxyphenyl)propionamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H34N2O5S/c1-3-31-21-12-15-24(32-4-2)23(19-21)26-25(28)16-11-20-9-13-22(14-10-20)33(29,30)27-17-7-5-6-8-18-27/h9-10,12-15,19H,3-8,11,16-18H2,1-2H3,(H,26,28)