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

Systemtic Name: N-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-benzylsulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-(phenylmethylthio)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-benzylsulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-(benzylthio)-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-26-17-9-7-16(8-10-17)23-29(24,25)18-11-12-20-19(13-18)22-21(27-20)28-14-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3