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

Systemtic Name: 4-[[5-[2-dimethylaminoethyl(quinolin-8-ylsulfonyl)amino]-1-methyl-benzimidazol-2-yl]methyl]benzenecarboximidamide Openeye Name: 4-[[5-[2-dimethylaminoethyl(8-quinolylsulfonyl)amino]-1-methyl-benzimidazol-2-yl]methyl]benzamidine CAS Name: 4-[[5-[2-dimethylaminoethyl(8-quinolinylsulfonyl)amino]-1-methyl-2-benzimidazolyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[5-[2-dimethylaminoethyl(quinolin-8-ylsulfonyl)amino]-1-methylbenzimidazol-2-yl]methyl]benzenecarboximidamide Traditional Name: 4-[[5-[2-dimethylaminoethyl(8-quinolylsulfonyl)amino]-1-methyl-benzimidazol-2-yl]methyl]benzamidine Formula: C29H31N7O2S MolecularWeight: 541.66714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CCN(C)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CCN(C)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H31N7O2S/c1-34(2)16-17-36(39(37,38)26-8-4-6-21-7-5-15-32-28(21)26)23-13-14-25-24(19-23)33-27(35(25)3)18-20-9-11-22(12-10-20)29(30)31/h4-15,19H,16-18H2,1-3H3,(H3,30,31)