dimethyl-[(2S)-3-[(4-methylphenyl)sulfonyl-naphthalen-1-yl-amino]-2-oxidanyl-propyl]azanium

Systemtic Name: dimethyl-[(2S)-3-[(4-methylphenyl)sulfonyl-naphthalen-1-yl-amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[1-naphthyl(p-tolylsulfonyl)amino]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(4-methylphenyl)sulfonyl-(1-naphthalenyl)amino]propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(4-methylphenyl)sulfonyl-naphthalen-1-ylamino]propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-[1-naphthyl(tosyl)amino]propyl]-dimethyl-ammonium Formula: C22H27N2O3S+ MolecularWeight: 399.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](C)C)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+](C)C)O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H26N2O3S/c1-17-11-13-20(14-12-17)28(26,27)24(16-19(25)15-23(2)3)22-10-6-8-18-7-4-5-9-21(18)22/h4-14,19,25H,15-16H2,1-3H3/p+1/t19-/m0/s1