4-(1-chloranylisoquinolin-5-yl)sulfonyl-2,5-dimethyl-piperazine-1-carboximidamide

Systemtic Name: 4-(1-chloranylisoquinolin-5-yl)sulfonyl-2,5-dimethyl-piperazine-1-carboximidamide Openeye Name: 4-[(1-chloro-5-isoquinolyl)sulfonyl]-2,5-dimethyl-piperazine-1-carboxamidine CAS Name: 4-[(1-chloro-5-isoquinolinyl)sulfonyl]-2,5-dimethyl-1-piperazinecarboximidamide IUPAC Name: 4-(1-chloroisoquinolin-5-yl)sulfonyl-2,5-dimethylpiperazine-1-carboximidamide Traditional Name: 4-[(1-chloro-5-isoquinolyl)sulfonyl]-2,5-dimethyl-piperazine-1-carboxamidine Formula: C16H20ClN5O2S MolecularWeight: 381.8803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl)C)C(=N)N

Isomeric SMILES

CC1CN(C(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl)C)C(=N)N

InChI

InChI=1S/C16H20ClN5O2S/c1-10-9-22(11(2)8-21(10)16(18)19)25(23,24)14-5-3-4-13-12(14)6-7-20-15(13)17/h3-7,10-11H,8-9H2,1-2H3,(H3,18,19)