[3-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium

Systemtic Name: [3-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium Openeye Name: [2-hydroxy-3-[3-nitro-N-(p-tolylsulfonyl)anilino]propyl]-diisobutyl-ammonium CAS Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)propyl]-bis(2-methylpropyl)azanium Traditional Name: [2-hydroxy-3-(3-nitro-N-tosyl-anilino)propyl]-diisobutyl-ammonium Formula: C24H36N3O5S+ MolecularWeight: 478.62474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O5S/c1-18(2)14-25(15-19(3)4)16-23(28)17-26(21-7-6-8-22(13-21)27(29)30)33(31,32)24-11-9-20(5)10-12-24/h6-13,18-19,23,28H,14-17H2,1-5H3/p+1