5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-2-(propylamino)benzenesulfonamide

Systemtic Name: 5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-2-(propylamino)benzenesulfonamide Openeye Name: 5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-(propylamino)benzenesulfonamide CAS Name: 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(propylamino)benzenesulfonamide IUPAC Name: 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(propylamino)benzenesulfonamide Traditional Name: 5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-(propylamino)benzenesulfonamide Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C(CNC(C)CCC2=CC=CC=C2)O)S(=O)(=O)N

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C(CNC(C)CCC2=CC=CC=C2)O)S(=O)(=O)N

InChI

InChI=1S/C21H31N3O3S/c1-3-13-23-19-12-11-18(14-21(19)28(22,26)27)20(25)15-24-16(2)9-10-17-7-5-4-6-8-17/h4-8,11-12,14,16,20,23-25H,3,9-10,13,15H2,1-2H3,(H2,22,26,27)