4-[1-(cyclohexylmethyl)-2-methyl-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[1-(cyclohexylmethyl)-2-methyl-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(cyclohexylmethyl)-2-methyl-benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-(cyclohexylmethyl)-2-methyl-5-benzimidazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(cyclohexylmethyl)-2-methylbenzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(cyclohexylmethyl)-2-methyl-benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C36H37N5O5S2 MolecularWeight: 683.83948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3CCCCC3)C=CC(=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1CC3CCCCC3)C=CC(=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H37N5O5S2/c1-25-38-33-22-29(16-19-34(33)40(25)24-26-8-4-2-5-9-26)27-12-14-28(15-13-27)36(42)39-48(45,46)31-17-18-32(35(23-31)41(43)44)37-20-21-47-30-10-6-3-7-11-30/h3,6-7,10-19,22-23,26,37H,2,4-5,8-9,20-21,24H2,1H3,(H,39,42)