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

Systemtic Name: dibutyl-[(2R)-2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]azanium Openeye Name: [(2R)-3-[N-(benzenesulfonyl)anilino]-2-hydroxy-propyl]-dibutyl-ammonium CAS Name: [(2R)-3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dibutylammonium IUPAC Name: [(2R)-3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dibutylazanium Traditional Name: [(2R)-3-(N-besylanilino)-2-hydroxy-propyl]-dibutyl-ammonium Formula: C23H35N2O3S+ MolecularWeight: 419.6006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O3S/c1-3-5-17-24(18-6-4-2)19-22(26)20-25(21-13-9-7-10-14-21)29(27,28)23-15-11-8-12-16-23/h7-16,22,26H,3-6,17-20H2,1-2H3/p+1/t22-/m1/s1