dibutyl-[3-[(2-methoxy-5-nitro-phenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: dibutyl-[3-[(2-methoxy-5-nitro-phenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-2-methoxy-5-nitro-anilino]-2-hydroxy-propyl]-dibutyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-2-methoxy-5-nitroanilino]-2-hydroxypropyl]-dibutylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-2-methoxy-5-nitroanilino]-2-hydroxypropyl]-dibutylazanium chloride Traditional Name: [3-(N-besyl-2-methoxy-5-nitro-anilino)-2-hydroxy-propyl]-dibutyl-ammonium chloride Formula: C24H36ClN3O6S MolecularWeight: 530.07714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O6S.ClH/c1-4-6-15-25(16-7-5-2)18-21(28)19-26(34(31,32)22-11-9-8-10-12-22)23-17-20(27(29)30)13-14-24(23)33-3;/h8-14,17,21,28H,4-7,15-16,18-19H2,1-3H3;1H