[(2R,3R)-3-[4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]butan-2-yl] hydrogen sulfate

Systemtic Name: [(2R,3R)-3-[4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxidanylidene-1,2,4-triazol-1-yl]butan-2-yl] hydrogen sulfate Openeye Name: [(1R,2R)-2-[4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]-1-methyl-propyl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R)-3-[4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-5-oxo-1,2,4-triazol-1-yl]butan-2-yl] ester IUPAC Name: [(2R,3R)-3-[4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]butan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1R,2R)-2-[4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-5-keto-1,2,4-triazol-1-yl]-1-methyl-propyl] ester Formula: C35H38Cl2N8O8S MolecularWeight: 801.69602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OS(=O)(=O)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

Isomeric SMILES

C[C@H]([C@@H](C)OS(=O)(=O)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChI

InChI=1S/C35H38Cl2N8O8S/c1-24(25(2)53-54(47,48)49)45-34(46)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)50-18-31-19-51-35(52-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-25,31H,13-16,18-20H2,1-2H3,(H,47,48,49)/t24-,25-,31+,35+/m1/s1