ethyl 2-[2-[(4-carbamimidoylphenyl)methyl]-6-(naphthalen-2-ylsulfonylamino)benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenyl)methyl]-6-(naphthalen-2-ylsulfonylamino)benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-carbamimidoylphenyl)methyl]-6-(2-naphthylsulfonylamino)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-6-(2-naphthalenylsulfonylamino)-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-carbamimidoylphenyl)methyl]-6-(naphthalen-2-ylsulfonylamino)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(4-amidinobenzyl)-6-(2-naphthylsulfonylamino)benzimidazol-1-yl]acetic acid ethyl ester Formula: C29H27N5O4S MolecularWeight: 541.62078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N=C1CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N=C1CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H27N5O4S/c1-2-38-28(35)18-34-26-17-23(33-39(36,37)24-13-11-20-5-3-4-6-22(20)16-24)12-14-25(26)32-27(34)15-19-7-9-21(10-8-19)29(30)31/h3-14,16-17,33H,2,15,18H2,1H3,(H3,30,31)