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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[[2-(1-pyrrolidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(2-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-pyrrolidinosulfonylbenzyl)acetamide Formula: C33H39N5O5S MolecularWeight: 617.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCC3)NC4=CC5=C(C=C4)C(=NC=C5)N)OC(C)C

InChI

InChI=1S/C33H39N5O5S/c1-4-42-29-20-24(11-14-28(29)43-22(2)3)31(37-26-12-13-27-23(19-26)15-16-35-32(27)34)33(39)36-21-25-9-5-6-10-30(25)44(40,41)38-17-7-8-18-38/h5-6,9-16,19-20,22,31,37H,4,7-8,17-18,21H2,1-3H3,(H2,34,35)(H,36,39)