[2-[butyl-[[1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonyl]amino]-2-oxidanylidene-ethyl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [2-[butyl-[[1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonyl]amino]-2-oxidanylidene-ethyl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [2-[butyl-[1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-2-oxo-ethyl]-hydroxy-oxo-phosphonium CAS Name: [2-[butyl-[oxo-[1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methyl]amino]-2-oxoethyl]-hydroxy-oxophosphonium IUPAC Name: [2-[butyl-[1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-2-oxoethyl]-hydroxy-oxophosphanium Traditional Name: [2-[butyl-[1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-2-keto-ethyl]-hydroxy-keto-phosphonium Formula: C22H31N5O6PS2+ MolecularWeight: 556.615201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C[P+](=O)O)C(=O)C1CC2CCCCC2N1C3=NC4=C(C=CC=C4S(=O)(=O)N)SN3

Isomeric SMILES

CCCCN(C(=O)C[P+](=O)O)C(=O)C1CC2CCCCC2N1C3=NC4=C(C=CC=C4S(=O)(=O)N)SN3

InChI

InChI=1S/C22H30N5O6PS2/c1-2-3-11-26(19(28)13-34(30)31)21(29)16-12-14-7-4-5-8-15(14)27(16)22-24-20-17(35-25-22)9-6-10-18(20)36(23,32)33/h6,9-10,14-16H,2-5,7-8,11-13H2,1H3,(H3-,23,24,25,30,31,32,33)/p+1