2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-chloranyl-3-ethoxy-phenyl)-N-[[5-(dimethylcarbamoylamino)-2-propan-2-ylsulfonyl-phenyl]methyl]ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-chloranyl-3-ethoxy-phenyl)-N-[[5-(dimethylcarbamoylamino)-2-propan-2-ylsulfonyl-phenyl]methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(4-chloro-3-ethoxy-phenyl)-N-[[5-(dimethylcarbamoylamino)-2-isopropylsulfonyl-phenyl]methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(4-chloro-3-ethoxyphenyl)-N-[[5-[[dimethylamino(oxo)methyl]amino]-2-propan-2-ylsulfonylphenyl]methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(4-chloro-3-ethoxyphenyl)-N-[[5-(dimethylcarbamoylamino)-2-propan-2-ylsulfonylphenyl]methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(4-chloro-3-ethoxy-phenyl)-N-[5-(dimethylcarbamoylamino)-2-isopropylsulfonyl-benzyl]acetamide Formula: C32H37ClN6O5S MolecularWeight: 653.19138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)N(C)C)S(=O)(=O)C(C)C)NC3=CC4=C(C=C3)C(=NC=C4)N)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)N(C)C)S(=O)(=O)C(C)C)NC3=CC4=C(C=C3)C(=NC=C4)N)Cl

InChI

InChI=1S/C32H37ClN6O5S/c1-6-44-27-17-21(7-11-26(27)33)29(37-23-8-10-25-20(15-23)13-14-35-30(25)34)31(40)36-18-22-16-24(38-32(41)39(4)5)9-12-28(22)45(42,43)19(2)3/h7-17,19,29,37H,6,18H2,1-5H3,(H2,34,35)(H,36,40)(H,38,41)