N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-(methylthio)benzenesulfonamide Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C13H17N3O2S2/c1-19-12-3-5-13(6-4-12)20(17,18)15-7-2-9-16-10-8-14-11-16/h3-6,8,10-11,15H,2,7,9H2,1H3