[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium

Systemtic Name: [(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium Openeye Name: [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]ammonium CAS Name: [(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]ammonium IUPAC Name: [(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]azanium Traditional Name: [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl(nosyl)amino]propyl]ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)[NH3+])O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)[NH3+])O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-15(2)13-22(14-20(24)19(21)12-16-6-4-3-5-7-16)29(27,28)18-10-8-17(9-11-18)23(25)26/h3-11,15,19-20,24H,12-14,21H2,1-2H3/p+1/t19-,20+/m0/s1