[6-azanyl-2-[(3-butyl-6-chloranyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-1-oxidanyl-1-oxidanylidene-6-phenyl-hexan-2-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [6-azanyl-2-[(3-butyl-6-chloranyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-1-oxidanyl-1-oxidanylidene-6-phenyl-hexan-2-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [5-amino-1-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-1-carboxy-5-phenyl-pentyl]-hydroxy-oxo-phosphonium CAS Name: [6-amino-2-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-1-hydroxy-1-oxo-6-phenylhexan-2-yl]-hydroxy-oxophosphonium IUPAC Name: [6-amino-2-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-1-hydroxy-1-oxo-6-phenylhexan-2-yl]-hydroxy-oxophosphanium Traditional Name: [5-amino-1-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-1-carboxy-5-phenyl-pentyl]-hydroxy-keto-phosphonium Formula: C23H30ClN3O6PS2+ MolecularWeight: 575.057561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)C(CCCC(C3=CC=CC=C3)N)(C(=O)O)[P+](=O)O)Cl

Isomeric SMILES

CCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)C(CCCC(C3=CC=CC=C3)N)(C(=O)O)[P+](=O)O)Cl

InChI

InChI=1S/C23H28ClN3O6PS2/c1-2-3-11-21-26-18-13-16(24)20(14-19(18)35-27-21)36(32,33)23(22(28)29,34(30)31)12-7-10-17(25)15-8-5-4-6-9-15/h4-6,8-9,13-14,17,21,26-27H,2-3,7,10-12,25H2,1H3/q-1/p+2