5-(2-azanyl-4-phenyl-piperidin-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-(2-azanyl-4-phenyl-piperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[(2-amino-4-phenyl-1-piperidyl)sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[(2-amino-4-phenyl-1-piperidinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(2-amino-4-phenylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(2-amino-4-phenyl-piperidino)sulfonylisocarbostyril Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C2=CC=CC=C2)N)S(=O)(=O)C3=CC=CC4=C3C=CNC4=O

Isomeric SMILES

C1CN(C(CC1C2=CC=CC=C2)N)S(=O)(=O)C3=CC=CC4=C3C=CNC4=O

InChI

InChI=1S/C20H21N3O3S/c21-19-13-15(14-5-2-1-3-6-14)10-12-23(19)27(25,26)18-8-4-7-17-16(18)9-11-22-20(17)24/h1-9,11,15,19H,10,12-13,21H2,(H,22,24)