[2-butyl-5-methylsulfanyl-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazol-4-yl] hydrogen carbonate

Systemtic Name: [2-butyl-5-methylsulfanyl-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazol-4-yl] hydrogen carbonate Openeye Name: [1-[[4-[2-(benzyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazol-4-yl] hydrogen carbonate CAS Name: carbonic acid [2-butyl-5-(methylthio)-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-4-imidazolyl] ester IUPAC Name: [2-butyl-5-methylsulfanyl-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazol-4-yl] hydrogen carbonate Traditional Name: carbonic acid [2-butyl-1-[4-[2-(carbobenzoxysulfamoyl)phenyl]benzyl]-5-(methylthio)imidazol-4-yl] ester Formula: C30H31N3O7S2 MolecularWeight: 609.71304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CC=C4)SC)OC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CC=C4)SC)OC(=O)O

InChI

InChI=1S/C30H31N3O7S2/c1-3-4-14-26-31-27(40-30(35)36)28(41-2)33(26)19-21-15-17-23(18-16-21)24-12-8-9-13-25(24)42(37,38)32-29(34)39-20-22-10-6-5-7-11-22/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,32,34)(H,35,36)