ethyl 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoate

Systemtic Name: ethyl 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(8-quinolinylsulfonylamino)-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-[(4-amidinophenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]butyric acid ethyl ester Formula: C30H30N6O5S MolecularWeight: 586.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H30N6O5S/c1-2-40-28(37)9-5-17-36-25-15-12-22(35-42(38,39)26-8-3-6-20-7-4-16-33-29(20)26)18-24(25)34-27(36)19-41-23-13-10-21(11-14-23)30(31)32/h3-4,6-8,10-16,18,35H,2,5,9,17,19H2,1H3,(H3,31,32)