tert-butyl [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(p-tolylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(tosylmethylamino)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)NCS(=O)(=O)C5=CC=C(C=C5)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)NCS(=O)(=O)C5=CC=C(C=C5)C

InChI

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