ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[[(4-cyanophenyl)amino]methyl]-4-methyl-quinolin-7-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-cyanoanilino)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-cyanoanilino)methyl]-4-methyl-7-quinolinyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanoanilino)methyl]-4-methylquinolin-7-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-cyanoanilino)methyl]-4-methyl-7-quinolyl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C31H27N5O4S MolecularWeight: 565.64218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)C(=CC(=N2)CNC3=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)C(=CC(=N2)CNC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C31H27N5O4S/c1-3-40-30(37)20-36(41(38,39)29-8-4-6-23-7-5-15-33-31(23)29)26-13-14-27-21(2)16-25(35-28(27)17-26)19-34-24-11-9-22(18-32)10-12-24/h4-17,34H,3,19-20H2,1-2H3