3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-ethoxy-3-methoxy-benzyl)propionamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H34N2O5S/c1-3-32-23-14-10-21(18-24(23)31-2)19-26-25(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,3-7,11,15-17,19H2,1-2H3,(H,26,28)