N-[(3,4-dimethoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxazol-5-yl-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(5-oxazolyl)-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(1,3-oxazol-5-yl)-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-oxazol-5-yl-N-veratryl-benzenesulfonamide Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CO4)OC

InChI

InChI=1S/C24H27N3O6S/c1-31-21-11-6-17(13-22(21)32-2)15-27(20-5-3-4-12-26-24(20)28)34(29,30)19-9-7-18(8-10-19)23-14-25-16-33-23/h6-11,13-14,16,20H,3-5,12,15H2,1-2H3,(H,26,28)