4-[[1-(phenylmethyl)-5-[phenylsulfonyl(3-piperidin-1-ylpropyl)amino]benzimidazol-2-yl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[1-(phenylmethyl)-5-[phenylsulfonyl(3-piperidin-1-ylpropyl)amino]benzimidazol-2-yl]methyl]benzenecarboximidamide Openeye Name: 4-[[5-[benzenesulfonyl-[3-(1-piperidyl)propyl]amino]-1-benzyl-benzimidazol-2-yl]methyl]benzamidine CAS Name: 4-[[5-[benzenesulfonyl-[3-(1-piperidinyl)propyl]amino]-1-(phenylmethyl)-2-benzimidazolyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[5-[benzenesulfonyl(3-piperidin-1-ylpropyl)amino]-1-benzylbenzimidazol-2-yl]methyl]benzenecarboximidamide Traditional Name: 4-[[1-benzyl-5-[besyl(3-piperidinopropyl)amino]benzimidazol-2-yl]methyl]benzamidine Formula: C36H40N6O2S MolecularWeight: 620.8068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN(C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)CC5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)CCCN(C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)CC5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H40N6O2S/c37-36(38)30-17-15-28(16-18-30)25-35-39-33-26-31(19-20-34(33)41(35)27-29-11-4-1-5-12-29)42(24-10-23-40-21-8-3-9-22-40)45(43,44)32-13-6-2-7-14-32/h1-2,4-7,11-20,26H,3,8-10,21-25,27H2,(H3,37,38)