tert-butyl [3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[[mesyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C37H41N3O5S MolecularWeight: 639.80354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)NC(C5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)NC(C5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C37H41N3O5S/c1-7-8-19-33-39-30-22-20-28(38-35(46(6,42)43)27-17-13-10-14-18-27)24-32(30)40(33)31-23-21-29(26-15-11-9-12-16-26)34(25(31)2)44-36(41)45-37(3,4)5/h9-18,20-24,35,38H,7-8,19H2,1-6H3