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

Systemtic Name: [2-[3-(aminomethyl)-4-[(3-butyl-6-chloranyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-pentyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxidanylidene-ethyl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [2-[3-(aminomethyl)-4-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-pentyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxo-ethyl]-hydroxy-oxo-phosphonium CAS Name: [2-[3-(aminomethyl)-4-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-pentyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxoethyl]-hydroxy-oxophosphonium IUPAC Name: [2-[3-(aminomethyl)-4-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-2-pentyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-oxoethyl]-hydroxy-oxophosphanium Traditional Name: [2-[3-(aminomethyl)-2-amyl-4-[(3-butyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl)sulfonyl]-2-carboxy-3-phenyl-3a,4,5,6,7,7a-hexahydroindol-1-yl]-2-keto-ethyl]-hydroxy-keto-phosphonium Formula: C34H47ClN4O7PS2+ MolecularWeight: 754.316341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(C2C(N1C(=O)C[P+](=O)O)CCCC2S(=O)(=O)C3=C(C=C4C(=C3)SNC(N4)CCCC)Cl)(CN)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCCC1(C(C2C(N1C(=O)C[P+](=O)O)CCCC2S(=O)(=O)C3=C(C=C4C(=C3)SNC(N4)CCCC)Cl)(CN)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C34H46ClN4O7PS2/c1-3-5-10-17-34(32(41)42)33(21-36,22-12-8-7-9-13-22)31-25(39(34)30(40)20-47(43)44)14-11-15-27(31)49(45,46)28-19-26-24(18-23(28)35)37-29(38-48-26)16-6-4-2/h7-9,12-13,18-19,25,27,29,31,37-38H,3-6,10-11,14-17,20-21,36H2,1-2H3,(H-,41,42,43,44)/p+1