2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-chloranyl-3-ethoxy-phenyl)-N-[(2-cyclopropylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-chloranyl-3-ethoxy-phenyl)-N-[(2-cyclopropylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(4-chloro-3-ethoxy-phenyl)-N-[(2-cyclopropylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(4-chloro-3-ethoxyphenyl)-N-[(2-cyclopropylsulfonylphenyl)methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(4-chloro-3-ethoxyphenyl)-N-[(2-cyclopropylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(4-chloro-3-ethoxy-phenyl)-N-(2-cyclopropylsulfonylbenzyl)acetamide Formula: C29H29ClN4O4S MolecularWeight: 565.08296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=CC5=C(C=C4)C(=NC=C5)N)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=CC5=C(C=C4)C(=NC=C5)N)Cl

InChI

InChI=1S/C29H29ClN4O4S/c1-2-38-25-16-19(7-12-24(25)30)27(34-21-8-11-23-18(15-21)13-14-32-28(23)31)29(35)33-17-20-5-3-4-6-26(20)39(36,37)22-9-10-22/h3-8,11-16,22,27,34H,2,9-10,17H2,1H3,(H2,31,32)(H,33,35)