5-isoquinolin-1-yloxy-N-(2-oxidanylsulfonothioyloxyethyl)pentan-1-amine

Systemtic Name: 5-isoquinolin-1-yloxy-N-(2-oxidanylsulfonothioyloxyethyl)pentan-1-amine Openeye Name: N-(2-hydroxysulfonothioyloxyethyl)-5-(1-isoquinolyloxy)pentan-1-amine CAS Name: N-(2-hydroxysulfonothioyloxyethyl)-5-(1-isoquinolinyloxy)-1-pentanamine IUPAC Name: N-(2-hydroxysulfonothioyloxyethyl)-5-isoquinolin-1-yloxypentan-1-amine Traditional Name: 2-hydroxysulfonothioyloxyethyl-[5-(1-isoquinolyloxy)pentyl]amine Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OCCCCCNCCOS(=O)(=S)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OCCCCCNCCOS(=O)(=S)O

InChI

InChI=1S/C16H22N2O4S2/c19-24(20,23)22-13-11-17-9-4-1-5-12-21-16-15-7-3-2-6-14(15)8-10-18-16/h2-3,6-8,10,17H,1,4-5,9,11-13H2,(H,19,20,23)