5-[3-azanyl-1-(3-phenylpropylamino)propyl]sulfonyl-4-methyl-2H-isoquinolin-1-one

Systemtic Name: 5-[3-azanyl-1-(3-phenylpropylamino)propyl]sulfonyl-4-methyl-2H-isoquinolin-1-one Openeye Name: 5-[3-amino-1-(3-phenylpropylamino)propyl]sulfonyl-4-methyl-2H-isoquinolin-1-one CAS Name: 5-[3-amino-1-(3-phenylpropylamino)propyl]sulfonyl-4-methyl-2H-isoquinolin-1-one IUPAC Name: 5-[3-amino-1-(3-phenylpropylamino)propyl]sulfonyl-4-methyl-2H-isoquinolin-1-one Traditional Name: 5-[3-amino-1-(3-phenylpropylamino)propyl]sulfonyl-4-methyl-isocarbostyril Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)C(CCN)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)C(CCN)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-16-15-25-22(26)18-10-5-11-19(21(16)18)29(27,28)20(12-13-23)24-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,20,24H,6,9,12-14,23H2,1H3,(H,25,26)