4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-isoquinolin-5-yl-butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-isoquinolin-5-yl-butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(5-isoquinolyl)butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-isoquinolinyl)butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-isoquinolin-5-ylbutanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(5-isoquinolyl)butyramide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC=CC2=C1C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)NC1=CC=CC2=C1C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O3S/c1-24(28(26,27)17-9-7-16(21)8-10-17)13-3-6-20(25)23-19-5-2-4-15-14-22-12-11-18(15)19/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,23,25)