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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)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)N(C(=C2)CNC3=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)28-8-4-6-22-7-5-15-32-30(22)28)25-13-14-27-23(16-25)17-26(34(27)2)19-33-24-11-9-21(18-31)10-12-24/h4-17,33H,3,19-20H2,1-2H3