[1-benzothiophen-2-ylsulfonyl(methyl)amino]-[(4-nitrophenoxy)-oxidanylidene-phosphaniumyl]methanolate

Systemtic Name: [1-benzothiophen-2-ylsulfonyl(methyl)amino]-[(4-nitrophenoxy)-oxidanylidene-phosphaniumyl]methanolate Openeye Name: [benzothiophen-2-ylsulfonyl(methyl)amino]-[(4-nitrophenoxy)-oxo-phosphaniumyl]methanolate CAS Name: [1-benzothiophen-2-ylsulfonyl(methyl)amino]-[(4-nitrophenoxy)-oxophosphiniumyl]methanolate IUPAC Name: [1-benzothiophen-2-ylsulfonyl(methyl)amino]-[(4-nitrophenoxy)-oxophosphaniumyl]methanolate Traditional Name: [benzothiophen-2-ylsulfonyl(methyl)amino]-[keto-(4-nitrophenoxy)phosphiniumyl]methanolate Formula: C16H13N2O7PS2 MolecularWeight: 440.387381

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Descriptors Computed from Structure

Canonical SMILES:

CN(C([O-])[P+](=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CN(C([O-])[P+](=O)OC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N2O7PS2/c1-17(28(23,24)15-10-11-4-2-3-5-14(11)27-15)16(19)26(22)25-13-8-6-12(7-9-13)18(20)21/h2-10,16H,1H3