2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-chloro-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-N-(4-chloro-3-methyl-5-isoxazolyl)-3-thiophenesulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-2-(piperonylthio)thiophene-3-sulfonamide Formula: C16H13ClN2O5S3 MolecularWeight: 444.93282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13ClN2O5S3/c1-9-14(17)15(24-18-9)19-27(20,21)13-4-5-25-16(13)26-7-10-2-3-11-12(6-10)23-8-22-11/h2-6,19H,7-8H2,1H3