6-(azepan-1-ylsulfonyl)-3-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl]-1,3-benzoxazol-2-one Formula: C22H23ClN2O6S MolecularWeight: 478.94582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)Cl

InChI

InChI=1S/C22H23ClN2O6S/c1-30-20-9-6-15(12-17(20)23)19(26)14-25-18-8-7-16(13-21(18)31-22(25)27)32(28,29)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3