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

Systemtic Name: N-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-methoxyphenyl)-2-[(3-phenoxybenzyl)thio]-1,3-benzoxazole-5-sulfonamide Formula: C27H22N2O5S2 MolecularWeight: 518.60398

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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)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O5S2/c1-32-21-12-10-20(11-13-21)29-36(30,31)24-14-15-26-25(17-24)28-27(34-26)35-18-19-6-5-9-23(16-19)33-22-7-3-2-4-8-22/h2-17,29H,18H2,1H3