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

Systemtic Name: 5-(3-azanyl-2,2-dimethyl-piperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[(3-amino-2,2-dimethyl-1-piperidyl)sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[(3-amino-2,2-dimethyl-1-piperidinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(3-amino-2,2-dimethylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(3-amino-2,2-dimethyl-piperidino)sulfonylisocarbostyril Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCN1S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)N)C

Isomeric SMILES

CC1(C(CCCN1S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)N)C

InChI

InChI=1S/C16H21N3O3S/c1-16(2)14(17)7-4-10-19(16)23(21,22)13-6-3-5-12-11(13)8-9-18-15(12)20/h3,5-6,8-9,14H,4,7,10,17H2,1-2H3,(H,18,20)