1-chloranyl-N-[2-(methylsulfonylamino)ethyl]isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-[2-(methylsulfonylamino)ethyl]isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-[2-(methanesulfonamido)ethyl]isoquinoline-3-carboxamide CAS Name: 1-chloro-N-[2-(methanesulfonamido)ethyl]-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-[2-(methanesulfonamido)ethyl]isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-[2-(methanesulfonamido)ethyl]isoquinoline-3-carboxamide Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CS(=O)(=O)NCCNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C13H14ClN3O3S/c1-21(19,20)16-7-6-15-13(18)11-8-9-4-2-3-5-10(9)12(14)17-11/h2-5,8,16H,6-7H2,1H3,(H,15,18)