2-[(1-azanylisoquinolin-6-yl)amino]-1-[2-(5-azanyl-2-propan-2-ylsulfonyl-phenyl)pyrrolidin-1-yl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanone

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-1-[2-(5-azanyl-2-propan-2-ylsulfonyl-phenyl)pyrrolidin-1-yl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanone Openeye Name: 1-[2-(5-amino-2-isopropylsulfonyl-phenyl)pyrrolidin-1-yl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)ethanone CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-1-[2-(5-amino-2-propan-2-ylsulfonylphenyl)-1-pyrrolidinyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanone IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-1-[2-(5-amino-2-propan-2-ylsulfonylphenyl)pyrrolidin-1-yl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanone Traditional Name: 1-[2-(5-amino-2-isopropylsulfonyl-phenyl)pyrrolidino]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)ethanone Formula: C35H43N5O5S MolecularWeight: 645.81142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N2CCCC2C3=C(C=CC(=C3)N)S(=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=C(C=CC(=C3)N)S(=O)(=O)C(C)C)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C35H43N5O5S/c1-6-44-31-19-24(9-13-30(31)45-21(2)3)33(39-26-11-12-27-23(18-26)15-16-38-34(27)37)35(41)40-17-7-8-29(40)28-20-25(36)10-14-32(28)46(42,43)22(4)5/h9-16,18-22,29,33,39H,6-8,17,36H2,1-5H3,(H2,37,38)