3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methyl-propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methyl-propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methyl-propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-N-methyl-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methylpropane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-N-methyl-propane-1-sulfonamide Formula: C14H17N3O2S3 MolecularWeight: 355.49868

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CCC#N)S(=O)(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H17N3O2S3/c1-17(9-4-8-15)22(18,19)11-5-10-20-14-16-12-6-2-3-7-13(12)21-14/h2-3,6-7H,4-5,9-11H2,1H3