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

Systemtic Name: 4-[(1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboximidamide Openeye Name: 4-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxamidine CAS Name: 4-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboximidamide IUPAC Name: 4-[(1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboximidamide Traditional Name: 4-[(1-keto-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxamidine Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)C(=N)N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)C(=N)N

InChI

InChI=1S/C15H19N5O3S/c16-15(17)19-7-2-8-20(10-9-19)24(22,23)13-4-1-3-12-11(13)5-6-18-14(12)21/h1,3-6H,2,7-10H2,(H3,16,17)(H,18,21)