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

Systemtic Name: 5-[2-azanyl-1-(3-phenylpropylamino)ethyl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-2H-isoquinolin-1-one CAS Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-2H-isoquinolin-1-one IUPAC Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-[2-amino-1-(3-phenylpropylamino)ethyl]sulfonylisocarbostyril Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c21-14-19(22-12-5-8-15-6-2-1-3-7-15)27(25,26)18-10-4-9-17-16(18)11-13-23-20(17)24/h1-4,6-7,9-11,13,19,22H,5,8,12,14,21H2,(H,23,24)