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

Systemtic Name: N-(2-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(2-methoxyphenyl)-2-(3-pyridylmethylsulfanyl)-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-2-(3-pyridinylmethylthio)-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(2-methoxyphenyl)-2-(3-pyridylmethylthio)-1,3-benzoxazole-5-sulfonamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CN=CC=C4

InChI

InChI=1S/C20H17N3O4S2/c1-26-18-7-3-2-6-16(18)23-29(24,25)15-8-9-19-17(11-15)22-20(27-19)28-13-14-5-4-10-21-12-14/h2-12,23H,13H2,1H3