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

Systemtic Name: tert-butyl [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C36H38ClN3O5S MolecularWeight: 660.22202

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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)Cl

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)Cl

InChI

InChI=1S/C36H38ClN3O5S/c1-6-7-13-33-39-30-20-16-27(38-23-46(42,43)28-17-14-26(37)15-18-28)22-32(30)40(33)31-21-19-29(25-11-9-8-10-12-25)34(24(31)2)44-35(41)45-36(3,4)5/h8-12,14-22,38H,6-7,13,23H2,1-5H3