[2-[3-azanyl-3-[(3-butyl-6-chloranyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxidanylidene-ethyl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [2-[3-azanyl-3-[(3-butyl-6-chloranyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxidanylidene-ethyl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [2-[3-amino-3-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxo-ethyl]-hydroxy-oxo-phosphonium CAS Name: [2-[3-amino-3-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxoethyl]-hydroxy-oxophosphonium IUPAC Name: [2-[3-amino-3-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxoethyl]-hydroxy-oxophosphanium Traditional Name: [2-[3-amino-3-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-(4-phenylbutyl)-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-keto-ethyl]-hydroxy-keto-phosphonium Formula: C32H43ClN4O7PS2+ MolecularWeight: 726.263181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)C3(C4CCCCC4N(C3(CCCCC5=CC=CC=C5)C(=O)O)C(=O)C[P+](=O)O)N)Cl

Isomeric SMILES

CCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)C3(C4CCCCC4N(C3(CCCCC5=CC=CC=C5)C(=O)O)C(=O)C[P+](=O)O)N)Cl

InChI

InChI=1S/C32H42ClN4O7PS2/c1-2-3-16-28-35-24-18-23(33)27(19-26(24)46-36-28)47(43,44)32(34)22-14-7-8-15-25(22)37(29(38)20-45(41)42)31(32,30(39)40)17-10-9-13-21-11-5-4-6-12-21/h4-6,11-12,18-19,22,25,28,35-36H,2-3,7-10,13-17,20,34H2,1H3,(H-,39,40,41,42)/p+1