2-[(1-azanylisoquinolin-6-yl)amino]-N-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-N-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-N-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-N-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-N-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C27H31ClN6O5S MolecularWeight: 587.09024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=C(N(N=C2C)C)Cl)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=C(N(N=C2C)C)Cl)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C27H31ClN6O5S/c1-6-38-22-14-18(7-10-21(22)39-15(2)3)23(31-19-8-9-20-17(13-19)11-12-30-26(20)29)27(35)33-40(36,37)24-16(4)32-34(5)25(24)28/h7-15,23,31H,6H2,1-5H3,(H2,29,30)(H,33,35)