2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(2-nitrophenyl)sulfonyl-ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(2-nitrophenyl)sulfonyl-ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-nitrophenyl)sulfonyl-acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(2-nitrophenyl)sulfonylacetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(2-nitrophenyl)sulfonylacetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-nitrophenyl)sulfonyl-acetamide Formula: C28H29N5O7S MolecularWeight: 579.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])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=CC=CC=C2[N+](=O)[O-])NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C28H29N5O7S/c1-4-39-24-16-19(9-12-23(24)40-17(2)3)26(31-20-10-11-21-18(15-20)13-14-30-27(21)29)28(34)32-41(37,38)25-8-6-5-7-22(25)33(35)36/h5-17,26,31H,4H2,1-3H3,(H2,29,30)(H,32,34)