4-[[1-methyl-5-[2-morpholin-4-ylethyl(quinolin-8-ylsulfonyl)amino]benzimidazol-2-yl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[1-methyl-5-[2-morpholin-4-ylethyl(quinolin-8-ylsulfonyl)amino]benzimidazol-2-yl]methyl]benzenecarboximidamide Openeye Name: 4-[[1-methyl-5-[2-morpholinoethyl(8-quinolylsulfonyl)amino]benzimidazol-2-yl]methyl]benzamidine CAS Name: 4-[[1-methyl-5-[2-(4-morpholinyl)ethyl-(8-quinolinylsulfonyl)amino]-2-benzimidazolyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[1-methyl-5-[2-morpholin-4-ylethyl(quinolin-8-ylsulfonyl)amino]benzimidazol-2-yl]methyl]benzenecarboximidamide Traditional Name: 4-[[1-methyl-5-[2-morpholinoethyl(8-quinolylsulfonyl)amino]benzimidazol-2-yl]methyl]benzamidine Formula: C31H33N7O3S MolecularWeight: 583.70382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CCN3CCOCC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N=C1CC6=CC=C(C=C6)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CCN3CCOCC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)N=C1CC6=CC=C(C=C6)C(=N)N

InChI

InChI=1S/C31H33N7O3S/c1-36-27-12-11-25(21-26(27)35-29(36)20-22-7-9-24(10-8-22)31(32)33)38(15-14-37-16-18-41-19-17-37)42(39,40)28-6-2-4-23-5-3-13-34-30(23)28/h2-13,21H,14-20H2,1H3,(H3,32,33)