3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxo-1H-isobenzofuran-5-yl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-oxo-1H-isobenzofuran-5-yl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-oxo-1H-2-benzofuran-5-yl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-ketophthalan-5-yl)propane-1-sulfonamide Formula: C18H16N2O4S3 MolecularWeight: 420.52564

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3)C(=O)O1

Isomeric SMILES

C1C2=C(C=C(C=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3)C(=O)O1

InChI

InChI=1S/C18H16N2O4S3/c21-17-14-10-13(7-6-12(14)11-24-17)20-27(22,23)9-3-8-25-18-19-15-4-1-2-5-16(15)26-18/h1-2,4-7,10,20H,3,8-9,11H2