3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,5-dimethoxyphenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C18H20N2O4S3/c1-23-14-10-13(11-15(12-14)24-2)20-27(21,22)9-5-8-25-18-19-16-6-3-4-7-17(16)26-18/h3-4,6-7,10-12,20H,5,8-9H2,1-2H3