2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[2-(2-propan-2-ylsulfonylphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[2-(2-propan-2-ylsulfonylphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-1-[2-(2-isopropylsulfonylphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-[2-(2-propan-2-ylsulfonylphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-[2-(2-propan-2-ylsulfonylphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-1-[2-(2-isopropylsulfonylphenyl)pyrrolidino]ethanone Formula: C35H42N4O5S MolecularWeight: 630.79678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N2CCCC2C3=CC=CC=C3S(=O)(=O)C(C)C)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)N2CCCC2C3=CC=CC=C3S(=O)(=O)C(C)C)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C35H42N4O5S/c1-6-43-31-21-25(13-16-30(31)44-22(2)3)33(38-26-14-15-27-24(20-26)17-18-37-34(27)36)35(40)39-19-9-11-29(39)28-10-7-8-12-32(28)45(41,42)23(4)5/h7-8,10,12-18,20-23,29,33,38H,6,9,11,19H2,1-5H3,(H2,36,37)