[3-[2-butyl-6-[butylsulfonyl-(phenylmethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-[butylsulfonyl-(phenylmethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[6-[benzyl(butylsulfonyl)amino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[butylsulfonyl-(phenylmethyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-[benzyl(butylsulfonyl)amino]-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-[benzyl(butylsulfonyl)amino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C36H39N3O5S MolecularWeight: 625.77696

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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)O)C)C=C(C=C2)N(CC5=CC=CC=C5)S(=O)(=O)CCCC

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N(CC5=CC=CC=C5)S(=O)(=O)CCCC

InChI

InChI=1S/C36H39N3O5S/c1-4-6-18-34-37-31-21-19-29(38(45(42,43)23-7-5-2)25-27-14-10-8-11-15-27)24-33(31)39(34)32-22-20-30(28-16-12-9-13-17-28)35(26(32)3)44-36(40)41/h8-17,19-22,24H,4-7,18,23,25H2,1-3H3,(H,40,41)