3-isoquinolin-1-yloxy-N-(2-oxidanylsulfonothioyloxyethyl)propan-1-amine

Systemtic Name: 3-isoquinolin-1-yloxy-N-(2-oxidanylsulfonothioyloxyethyl)propan-1-amine Openeye Name: N-(2-hydroxysulfonothioyloxyethyl)-3-(1-isoquinolyloxy)propan-1-amine CAS Name: N-(2-hydroxysulfonothioyloxyethyl)-3-(1-isoquinolinyloxy)-1-propanamine IUPAC Name: N-(2-hydroxysulfonothioyloxyethyl)-3-isoquinolin-1-yloxypropan-1-amine Traditional Name: 2-hydroxysulfonothioyloxyethyl-[3-(1-isoquinolyloxy)propyl]amine Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OCCCNCCOS(=O)(=S)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OCCCNCCOS(=O)(=S)O

InChI

InChI=1S/C14H18N2O4S2/c17-22(18,21)20-11-9-15-7-3-10-19-14-13-5-2-1-4-12(13)6-8-16-14/h1-2,4-6,8,15H,3,7,9-11H2,(H,17,18,21)