N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide Traditional Name: 3-besyl-N-[4-(diethylaminomethyl)benzyl]propionamide Formula: C21H28N2O3S MolecularWeight: 388.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S/c1-3-23(4-2)17-19-12-10-18(11-13-19)16-22-21(24)14-15-27(25,26)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3,(H,22,24)