2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C21H17ClN2O4S2 MolecularWeight: 460.95368

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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=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN2O4S2/c1-27-17-7-5-16(6-8-17)24-30(25,26)18-9-10-20-19(12-18)23-21(28-20)29-13-14-3-2-4-15(22)11-14/h2-12,24H,13H2,1H3