2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C22H17N3O4S3 MolecularWeight: 483.58308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N3O4S3/c1-28-15-8-6-14(7-9-15)25-32(26,27)16-10-11-19-18(12-16)24-22(29-19)30-13-21-23-17-4-2-3-5-20(17)31-21/h2-12,25H,13H2,1H3