ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H27N5O4S MolecularWeight: 553.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H27N5O4S/c1-3-39-29(36)20-35(40(37,38)27-8-4-6-23-7-5-17-32-30(23)27)24-14-15-26-25(18-24)33-28(34(26)2)16-13-21-9-11-22(19-31)12-10-21/h4-12,14-15,17-18H,3,13,16,20H2,1-2H3