N-[4-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)piperidin-1-yl]methanesulfonamide

Systemtic Name: N-[4-(5-methyl-1-oxidanylidene-2H-isoquinolin-3-yl)piperidin-1-yl]methanesulfonamide Openeye Name: N-[4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-1-piperidyl]methanesulfonamide CAS Name: N-[4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)-1-piperidinyl]methanesulfonamide IUPAC Name: N-[4-(5-methyl-1-oxo-2H-isoquinolin-3-yl)piperidin-1-yl]methanesulfonamide Traditional Name: N-[4-(1-keto-5-methyl-2H-isoquinolin-3-yl)piperidino]methanesulfonamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)C3CCN(CC3)NS(=O)(=O)C

InChI

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