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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-pyridin-2-ylethyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[2-(2-pyridyl)ethyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[2-(2-pyridinyl)ethyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(2-pyridin-2-ylethyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[2-(2-pyridyl)ethyl]propane-1-sulfonamide Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CCC1=CC=CC=N1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H21N3O2S3/c1-21(12-10-15-7-4-5-11-19-15)26(22,23)14-6-13-24-18-20-16-8-2-3-9-17(16)25-18/h2-5,7-9,11H,6,10,12-14H2,1H3