2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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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)SCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O5S2/c1-29-17-8-6-16(7-9-17)24-32(27,28)18-10-11-20-19(14-18)23-22(30-20)31-15-21(26)25-12-4-2-3-5-13-25/h6-11,14,24H,2-5,12-13,15H2,1H3