4-[2-[5-[2-diethylaminoethyl-(3-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[5-[2-diethylaminoethyl-(3-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[5-[2-diethylaminoethyl-(3-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[5-[2-diethylaminoethyl-(3-nitrophenyl)sulfonylamino]-1-methyl-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[5-[2-diethylaminoethyl-(3-nitrophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[5-[2-diethylaminoethyl-(3-nitrophenyl)sulfonyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine Formula: C29H35N7O4S MolecularWeight: 577.6977

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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=CC(=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=CC(=C4)[N+](=O)[O-]

InChI

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