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

Systemtic Name: N-[3-(aminomethyl)phenyl]sulfonyl-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-N-[3-(aminomethyl)phenyl]sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-N-[3-(aminomethyl)phenyl]sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-N-[3-(aminomethyl)phenyl]sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-N-[3-(aminomethyl)phenyl]sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C29H33N5O5S MolecularWeight: 563.66782

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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)CN)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)CN)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C29H33N5O5S/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(33-22-9-10-24-20(15-22)12-13-32-28(24)31)29(35)34-40(36,37)23-7-5-6-19(14-23)17-30/h5-16,18,27,33H,4,17,30H2,1-3H3,(H2,31,32)(H,34,35)