(2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonyl-phenyl)sulfonylazanide; trimethyl-(phenylmethyl)azanium

Systemtic Name: (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonyl-phenyl)sulfonylazanide; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonyl-phenyl)sulfonylazanide CAS Name: [5-[mercapto(oxo)methyl]-2-phenoxy-3-(1-pyrrolidinyl)phenyl]sulfonylazanide; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonylphenyl)sulfonylazanide Traditional Name: benzyl(trimethyl)ammonium; (2-phenoxy-3-pyrrolidino-5-thiocarboxy-phenyl)sulfonylazanide Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)S)S(=O)(=O)[NH-])OC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)S)S(=O)(=O)[NH-])OC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O4S2.C10H16N/c18-25(21,22)15-11-12(17(20)24)10-14(19-8-4-5-9-19)16(15)23-13-6-2-1-3-7-13;1-11(2,3)9-10-7-5-4-6-8-10/h1-3,6-7,10-11H,4-5,8-9H2,(H3,18,20,21,22,24);4-8H,9H2,1-3H3/q;+1/p-1