ethyl 4-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C27H25N3O6S MolecularWeight: 519.5689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C27H25N3O6S/c1-3-36-27(32)19-7-9-21(10-8-19)29-26(31)18-30(22-11-13-23(35-2)14-12-22)37(33,34)25-6-4-5-20-17-28-16-15-24(20)25/h4-17H,3,18H2,1-2H3,(H,29,31)