ethyl 2-[2-[(4-carbamimidoylphenyl)methyl]-5-(phenylsulfonylamino)benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenyl)methyl]-5-(phenylsulfonylamino)benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetate CAS Name: 2-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-(4-amidinobenzyl)-5-(benzenesulfonamido)benzimidazol-1-yl]acetic acid ethyl ester Formula: C25H25N5O4S MolecularWeight: 491.5621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H25N5O4S/c1-2-34-24(31)16-30-22-13-12-19(29-35(32,33)20-6-4-3-5-7-20)15-21(22)28-23(30)14-17-8-10-18(11-9-17)25(26)27/h3-13,15,29H,2,14,16H2,1H3,(H3,26,27)