[5-[[3-(aminocarbonylsulfamoyl)-4-[2-(1-pyridin-2-ylethyl)phenyl]phenyl]methyl]-2-butyl-4-methylsulfanyl-imidazol-4-yl] hydrogen carbonate

Systemtic Name: [5-[[3-(aminocarbonylsulfamoyl)-4-[2-(1-pyridin-2-ylethyl)phenyl]phenyl]methyl]-2-butyl-4-methylsulfanyl-imidazol-4-yl] hydrogen carbonate Openeye Name: [2-butyl-5-[[3-(carbamoylsulfamoyl)-4-[2-[1-(2-pyridyl)ethyl]phenyl]phenyl]methyl]-4-methylsulfanyl-imidazol-4-yl] hydrogen carbonate CAS Name: carbonic acid [2-butyl-5-[[3-(carbamoylsulfamoyl)-4-[2-[1-(2-pyridinyl)ethyl]phenyl]phenyl]methyl]-4-(methylthio)-4-imidazolyl] ester IUPAC Name: [2-butyl-5-[[3-(carbamoylsulfamoyl)-4-[2-(1-pyridin-2-ylethyl)phenyl]phenyl]methyl]-4-methylsulfanylimidazol-4-yl] hydrogen carbonate Traditional Name: carbonic acid [2-butyl-5-[3-(carbamoylsulfamoyl)-4-[2-[1-(2-pyridyl)ethyl]phenyl]benzyl]-4-(methylthio)imidazol-4-yl] ester Formula: C30H33N5O6S2 MolecularWeight: 623.74292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3C(C)C4=CC=CC=N4)S(=O)(=O)NC(=O)N)(OC(=O)O)SC

Isomeric SMILES

CCCCC1=NC(C(=N1)CC2=CC(=C(C=C2)C3=CC=CC=C3C(C)C4=CC=CC=N4)S(=O)(=O)NC(=O)N)(OC(=O)O)SC

InChI

InChI=1S/C30H33N5O6S2/c1-4-5-13-27-33-26(30(34-27,42-3)41-29(37)38)18-20-14-15-23(25(17-20)43(39,40)35-28(31)36)22-11-7-6-10-21(22)19(2)24-12-8-9-16-32-24/h6-12,14-17,19H,4-5,13,18H2,1-3H3,(H,37,38)(H3,31,35,36)