1-isoquinolin-5-ylsulfonylbutane-1,4-diamine

Systemtic Name: 1-isoquinolin-5-ylsulfonylbutane-1,4-diamine Openeye Name: 1-(5-isoquinolylsulfonyl)butane-1,4-diamine CAS Name: 1-(5-isoquinolinylsulfonyl)butane-1,4-diamine IUPAC Name: 1-isoquinolin-5-ylsulfonylbutane-1,4-diamine Traditional Name: [4-amino-1-(5-isoquinolylsulfonyl)butyl]amine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C(CCCN)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C(CCCN)N

InChI

InChI=1S/C13H17N3O2S/c14-7-2-5-13(15)19(17,18)12-4-1-3-10-9-16-8-6-11(10)12/h1,3-4,6,8-9,13H,2,5,7,14-15H2