N-(2-azanylethylsulfonyl)-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanamide

Systemtic Name: N-(2-azanylethylsulfonyl)-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanamide Openeye Name: N-(2-aminoethylsulfonyl)-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide CAS Name: N-(2-aminoethylsulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)acetamide IUPAC Name: N-(2-aminoethylsulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetamide Traditional Name: 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)-N-tauryl-acetamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)CCN)NC2=CC3=C(C=C2)C=NC=C3)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)CCN)NC2=CC3=C(C=C2)C=NC=C3)OC(C)C

InChI

InChI=1S/C24H30N4O5S/c1-4-32-22-14-18(6-8-21(22)33-16(2)3)23(24(29)28-34(30,31)12-10-25)27-20-7-5-19-15-26-11-9-17(19)13-20/h5-9,11,13-16,23,27H,4,10,12,25H2,1-3H3,(H,28,29)