5-(3-phenylazanylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-(3-phenylazanylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[(3-anilino-1-piperidyl)sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[(3-anilino-1-piperidinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(3-anilinopiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(3-anilinopiperidino)sulfonylisocarbostyril Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c24-20-18-9-4-10-19(17(18)11-12-21-20)27(25,26)23-13-5-8-16(14-23)22-15-6-2-1-3-7-15/h1-4,6-7,9-12,16,22H,5,8,13-14H2,(H,21,24)