3-ethyl-2-isoquinolin-5-ylsulfonyl-hexane-1,2-diamine

Systemtic Name: 3-ethyl-2-isoquinolin-5-ylsulfonyl-hexane-1,2-diamine Openeye Name: 3-ethyl-2-(5-isoquinolylsulfonyl)hexane-1,2-diamine CAS Name: 3-ethyl-2-(5-isoquinolinylsulfonyl)hexane-1,2-diamine IUPAC Name: 3-ethyl-2-isoquinolin-5-ylsulfonylhexane-1,2-diamine Traditional Name: [2-amino-3-ethyl-2-(5-isoquinolylsulfonyl)hexyl]amine Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C(CN)(N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCC(CC)C(CN)(N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C17H25N3O2S/c1-3-6-14(4-2)17(19,12-18)23(21,22)16-8-5-7-13-11-20-10-9-15(13)16/h5,7-11,14H,3-4,6,12,18-19H2,1-2H3