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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)-4-pyrazol-1-yl-benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-pyrazol-1-yl-benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)-4-(1-pyrazolyl)benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide Traditional Name: N-(2-ketoazepan-3-yl)-4-pyrazol-1-yl-N-veratryl-benzenesulfonamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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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)N4C=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)N4C=CC=N4)OC

InChI

InChI=1S/C24H28N4O5S/c1-32-22-12-7-18(16-23(22)33-2)17-28(21-6-3-4-13-25-24(21)29)34(30,31)20-10-8-19(9-11-20)27-15-5-14-26-27/h5,7-12,14-16,21H,3-4,6,13,17H2,1-2H3,(H,25,29)