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

Systemtic Name: 2-[azanyl(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(2-nitrophenyl)sulfonyl-ethanamide Openeye Name: 2-[amino(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(2-nitrophenyl)sulfonyl-acetamide CAS Name: 2-[amino(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(2-nitrophenyl)sulfonylacetamide IUPAC Name: 2-[amino(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(2-nitrophenyl)sulfonylacetamide Traditional Name: 2-[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-])N(C3=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-])N(C3=CC4=C(C=C3)C=NC=C4)N)OC(C)C

InChI

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