4-[2-[5-[(4-carbamimidoylphenyl)methyl-(phenylsulfonyl)amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[5-[(4-carbamimidoylphenyl)methyl-(phenylsulfonyl)amino]-1-methyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[5-[benzenesulfonyl-[(4-carbamimidoylphenyl)methyl]amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[5-[benzenesulfonyl-[(4-carbamimidoylphenyl)methyl]amino]-1-methyl-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[5-[benzenesulfonyl-[(4-carbamimidoylphenyl)methyl]amino]-1-methylbenzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[5-[(4-amidinobenzyl)-besyl-amino]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine Formula: C31H31N7O2S MolecularWeight: 565.68854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H31N7O2S/c1-37-28-17-16-25(19-27(28)36-29(37)18-11-21-7-12-23(13-8-21)30(32)33)38(41(39,40)26-5-3-2-4-6-26)20-22-9-14-24(15-10-22)31(34)35/h2-10,12-17,19H,11,18,20H2,1H3,(H3,32,33)(H3,34,35)