ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]propanoate CAS Name: 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanophenoxy)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]propanoate Traditional Name: 3-[[2-[(4-cyanophenoxy)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]propionic acid ethyl ester Formula: C30H27N5O5S MolecularWeight: 569.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CCN(C1=CC2=C(C=C1)N(C(=N2)COC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H27N5O5S/c1-3-39-29(36)15-17-35(41(37,38)27-8-4-6-22-7-5-16-32-30(22)27)23-11-14-26-25(18-23)33-28(34(26)2)20-40-24-12-9-21(19-31)10-13-24/h4-14,16,18H,3,15,17,20H2,1-2H3