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

Systemtic Name: ethyl 4-[2-[(4-cyanophenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(4-cyanophenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-cyanophenoxy)methyl]-5-(8-quinolinylsulfonylamino)-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-cyanophenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-[(4-cyanophenoxy)methyl]-5-(8-quinolylsulfonylamino)benzimidazol-1-yl]butyric acid ethyl ester Formula: C30H27N5O5S MolecularWeight: 569.63088

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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

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

InChI

InChI=1S/C30H27N5O5S/c1-2-39-29(36)9-5-17-35-26-15-12-23(34-41(37,38)27-8-3-6-22-7-4-16-32-30(22)27)18-25(26)33-28(35)20-40-24-13-10-21(19-31)11-14-24/h3-4,6-8,10-16,18,34H,2,5,9,17,20H2,1H3