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

Systemtic Name: N-(2-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(2-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-2-[(3-phenoxyphenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(2-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=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

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