1-isoquinolin-5-ylsulfonylcyclohexane-1,3-diamine

Systemtic Name: 1-isoquinolin-5-ylsulfonylcyclohexane-1,3-diamine Openeye Name: 1-(5-isoquinolylsulfonyl)cyclohexane-1,3-diamine CAS Name: 1-(5-isoquinolinylsulfonyl)cyclohexane-1,3-diamine IUPAC Name: 1-isoquinolin-5-ylsulfonylcyclohexane-1,3-diamine Traditional Name: [3-amino-1-(5-isoquinolylsulfonyl)cyclohexyl]amine Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(N)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N

Isomeric SMILES

C1CC(CC(C1)(N)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N

InChI

InChI=1S/C15H19N3O2S/c16-12-4-2-7-15(17,9-12)21(19,20)14-5-1-3-11-10-18-8-6-13(11)14/h1,3,5-6,8,10,12H,2,4,7,9,16-17H2