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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-p-anisyl-propane-1-sulfonamide Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S3/c1-23-15-9-7-14(8-10-15)13-19-26(21,22)12-4-11-24-18-20-16-5-2-3-6-17(16)25-18/h2-3,5-10,19H,4,11-13H2,1H3