[(2R)-2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]-dipropyl-azanium

Systemtic Name: [(2R)-2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]-dipropyl-azanium Openeye Name: [(2R)-3-[N-(benzenesulfonyl)anilino]-2-hydroxy-propyl]-dipropyl-ammonium CAS Name: [(2R)-3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dipropylammonium IUPAC Name: [(2R)-3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dipropylazanium Traditional Name: [(2R)-3-(N-besylanilino)-2-hydroxy-propyl]-dipropyl-ammonium Formula: C21H31N2O3S+ MolecularWeight: 391.54744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCC[NH+](CCC)C[C@H](CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H30N2O3S/c1-3-15-22(16-4-2)17-20(24)18-23(19-11-7-5-8-12-19)27(25,26)21-13-9-6-10-14-21/h5-14,20,24H,3-4,15-18H2,1-2H3/p+1/t20-/m1/s1