2,5-dimethyl-4-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]piperazine-1-carboximidamide

Systemtic Name: 2,5-dimethyl-4-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]piperazine-1-carboximidamide Openeye Name: 2,5-dimethyl-4-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamidine CAS Name: 2,5-dimethyl-4-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1-piperazinecarboximidamide IUPAC Name: 2,5-dimethyl-4-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]piperazine-1-carboximidamide Traditional Name: 4-[(1-keto-2H-isoquinolin-5-yl)sulfonyl]-2,5-dimethyl-piperazine-1-carboxamidine Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)C)C(=N)N

Isomeric SMILES

CC1CN(C(CN1S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)C)C(=N)N

InChI

InChI=1S/C16H21N5O3S/c1-10-9-21(11(2)8-20(10)16(17)18)25(23,24)14-5-3-4-13-12(14)6-7-19-15(13)22/h3-7,10-11H,8-9H2,1-2H3,(H3,17,18)(H,19,22)