4-[2-[5-[2-diethylaminoethyl-(4-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[5-[2-diethylaminoethyl-(4-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[5-[2-diethylaminoethyl-(4-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[5-[2-diethylaminoethyl-(4-nitrophenyl)sulfonylamino]-1-methyl-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[5-[2-diethylaminoethyl-(4-nitrophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[5-[2-diethylaminoethyl(nosyl)amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine Formula: C29H35N7O4S MolecularWeight: 577.6977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H35N7O4S/c1-4-34(5-2)18-19-35(41(39,40)25-14-11-23(12-15-25)36(37)38)24-13-16-27-26(20-24)32-28(33(27)3)17-8-21-6-9-22(10-7-21)29(30)31/h6-7,9-16,20H,4-5,8,17-19H2,1-3H3,(H3,30,31)