[3-(butylamino)-2-phenoxy-5-sulfanylcarbonyl-phenyl]sulfonylazanide; trimethyl-(phenylmethyl)azanium

Systemtic Name: [3-(butylamino)-2-phenoxy-5-sulfanylcarbonyl-phenyl]sulfonylazanide; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; [3-(butylamino)-2-phenoxy-5-sulfanylcarbonyl-phenyl]sulfonylazanide CAS Name: [3-(butylamino)-5-[mercapto(oxo)methyl]-2-phenoxyphenyl]sulfonylazanide; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; [3-(butylamino)-2-phenoxy-5-sulfanylcarbonylphenyl]sulfonylazanide Traditional Name: benzyl(trimethyl)ammonium; [3-(butylamino)-2-phenoxy-5-thiocarboxy-phenyl]sulfonylazanide Formula: C27H35N3O4S2 MolecularWeight: 529.7145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)[NH-])OC2=CC=CC=C2.C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)[NH-])OC2=CC=CC=C2.C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C17H20N2O4S2.C10H16N/c1-2-3-9-19-14-10-12(17(20)24)11-15(25(18,21)22)16(14)23-13-7-5-4-6-8-13;1-11(2,3)9-10-7-5-4-6-8-10/h4-8,10-11,19H,2-3,9H2,1H3,(H3,18,20,21,22,24);4-8H,9H2,1-3H3/q;+1/p-1