4-(1-chloranylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboximidamide

Systemtic Name: 4-(1-chloranylisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboximidamide Openeye Name: 4-[(1-chloro-5-isoquinolyl)sulfonyl]-1,4-diazepane-1-carboxamidine CAS Name: 4-[(1-chloro-5-isoquinolinyl)sulfonyl]-1,4-diazepane-1-carboximidamide IUPAC Name: 4-(1-chloroisoquinolin-5-yl)sulfonyl-1,4-diazepane-1-carboximidamide Traditional Name: 4-[(1-chloro-5-isoquinolyl)sulfonyl]-1,4-diazepane-1-carboxamidine Formula: C15H18ClN5O2S MolecularWeight: 367.85372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl)C(=N)N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl)C(=N)N

InChI

InChI=1S/C15H18ClN5O2S/c16-14-12-3-1-4-13(11(12)5-6-19-14)24(22,23)21-8-2-7-20(9-10-21)15(17)18/h1,3-6H,2,7-10H2,(H3,17,18)