3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dimethoxyphenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dimethoxyphenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dimethoxyphenyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,4-dimethoxyphenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dimethoxyphenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,4-dimethoxyphenyl)propane-1-sulfonamide Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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