2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-ethylsulfonylphenyl)phenyl]pentanamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-ethylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-ethylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-ethylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-ethylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-esylphenyl)phenyl]valeramide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)CC)OC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)CC)OC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C28H29N3O4S/c1-3-7-25(35-22-15-12-20-16-17-30-27(29)24(20)18-22)28(32)31-21-13-10-19(11-14-21)23-8-5-6-9-26(23)36(33,34)4-2/h5-6,8-18,25H,3-4,7H2,1-2H3,(H2,29,30)(H,31,32)