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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(CCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(CCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C21H25N3O3S/c22-13-11-20(23-14-5-8-16-6-2-1-3-7-16)28(26,27)19-10-4-9-18-17(19)12-15-24-21(18)25/h1-4,6-7,9-10,12,15,20,23H,5,8,11,13-14,22H2,(H,24,25)