bis(2-methylpropyl)-[(2R)-3-[(2-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(2R)-3-[(2-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(N-(2-nitrophenyl)sulfonylanilino)propyl]-diisobutyl-ammonium CAS Name: [(2R)-2-hydroxy-3-(N-(2-nitrophenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(2R)-2-hydroxy-3-(N-(2-nitrophenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)azanium Traditional Name: [(2R)-2-hydroxy-3-(N-(2-nitrophenyl)sulfonylanilino)propyl]-diisobutyl-ammonium Formula: C23H34N3O5S+ MolecularWeight: 464.59816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S/c1-18(2)14-24(15-19(3)4)16-21(27)17-25(20-10-6-5-7-11-20)32(30,31)23-13-9-8-12-22(23)26(28)29/h5-13,18-19,21,27H,14-17H2,1-4H3/p+1/t21-/m1/s1