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

Systemtic Name: ethyl 2-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]acetate CAS Name: 2-[[2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetyl]amino]acetate Traditional Name: 2-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]acetic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)CNC(=O)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H23N3O6S/c1-3-31-22(27)14-24-21(26)15-25(17-7-9-18(30-2)10-8-17)32(28,29)20-6-4-5-16-13-23-12-11-19(16)20/h4-13H,3,14-15H2,1-2H3,(H,24,26)