3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,4,5-trimethoxybenzyl)propane-1-sulfonamide Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H24N2O5S3/c1-25-16-11-14(12-17(26-2)19(16)27-3)13-21-30(23,24)10-6-9-28-20-22-15-7-4-5-8-18(15)29-20/h4-5,7-8,11-12,21H,6,9-10,13H2,1-3H3