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

Systemtic Name: 5-[2-azanyl-1-(3-phenylpropylamino)ethyl]sulfonyl-4-methyl-2H-isoquinolin-1-one Openeye Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-4-methyl-2H-isoquinolin-1-one CAS Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-4-methyl-2H-isoquinolin-1-one IUPAC Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-4-methyl-2H-isoquinolin-1-one Traditional Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-4-methyl-isocarbostyril Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-15-14-24-21(25)17-10-5-11-18(20(15)17)28(26,27)19(13-22)23-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,19,23H,6,9,12-13,22H2,1H3,(H,24,25)