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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[2-(dimethylaminomethyl)phenyl]methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[2-(dimethylaminomethyl)phenyl]methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[[2-(dimethylaminomethyl)phenyl]methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[2-(dimethylaminomethyl)phenyl]methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylaminomethyl)benzyl]propionamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H35N3O3S/c1-27(2)20-23-10-6-5-9-22(23)19-26-25(29)16-13-21-11-14-24(15-12-21)32(30,31)28-17-7-3-4-8-18-28/h5-6,9-12,14-15H,3-4,7-8,13,16-20H2,1-2H3,(H,26,29)