N-[(1R,2S)-1-(3-chloranylpropylamino)-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2S)-1-(3-chloranylpropylamino)-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[(R)-(3-chloropropylamino)-phenyl-methyl]propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2S)-1-(3-chloropropylamino)-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2S)-1-(3-chloropropylamino)-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-[(R)-(3-chloropropylamino)-phenyl-methyl]propyl]-4-methyl-benzenesulfonamide Formula: C20H27ClN2O2S MolecularWeight: 394.95858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NCCCCl)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC=CC=C1)NCCCCl)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H27ClN2O2S/c1-3-19(23-26(24,25)18-12-10-16(2)11-13-18)20(22-15-7-14-21)17-8-5-4-6-9-17/h4-6,8-13,19-20,22-23H,3,7,14-15H2,1-2H3/t19-,20+/m0/s1