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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethoxyphenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethoxyphenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(3,5-dimethoxyphenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,5-dimethoxyphenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,5-dimethoxybenzyl)propane-1-sulfonamide Formula: C19H22N2O4S3 MolecularWeight: 438.58398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S3/c1-24-15-10-14(11-16(12-15)25-2)13-20-28(22,23)9-5-8-26-19-21-17-6-3-4-7-18(17)27-19/h3-4,6-7,10-12,20H,5,8-9,13H2,1-2H3