6-(azepan-1-ylsulfonyl)-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methoxyphenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-keto-2-(2-methoxyphenyl)ethyl]-1,3-benzoxazol-2-one Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O

Isomeric SMILES

COC1=CC=CC=C1C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O

InChI

InChI=1S/C22H24N2O6S/c1-29-20-9-5-4-8-17(20)19(25)15-24-18-11-10-16(14-21(18)30-22(24)26)31(27,28)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3