4-isoquinolin-5-ylsulfonyl-1,4-diazepane-1-carboximidamide

Systemtic Name: 4-isoquinolin-5-ylsulfonyl-1,4-diazepane-1-carboximidamide Openeye Name: 4-(5-isoquinolylsulfonyl)-1,4-diazepane-1-carboxamidine CAS Name: 4-(5-isoquinolinylsulfonyl)-1,4-diazepane-1-carboximidamide IUPAC Name: 4-isoquinolin-5-ylsulfonyl-1,4-diazepane-1-carboximidamide Traditional Name: 4-(5-isoquinolylsulfonyl)-1,4-diazepane-1-carboxamidine Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=N)N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=N)N

InChI

InChI=1S/C15H19N5O2S/c16-15(17)19-7-2-8-20(10-9-19)23(21,22)14-4-1-3-12-11-18-6-5-13(12)14/h1,3-6,11H,2,7-10H2,(H3,16,17)