5-(2-azanyl-3-propyl-piperidin-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-(2-azanyl-3-propyl-piperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[(2-amino-3-propyl-1-piperidyl)sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[(2-amino-3-propyl-1-piperidinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(2-amino-3-propylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(2-amino-3-propyl-piperidino)sulfonylisocarbostyril Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCN(C1N)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CCCC1CCCN(C1N)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C17H23N3O3S/c1-2-5-12-6-4-11-20(16(12)18)24(22,23)15-8-3-7-14-13(15)9-10-19-17(14)21/h3,7-10,12,16H,2,4-6,11,18H2,1H3,(H,19,21)