N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-methylsulfonyl-benzenesulfonamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-methylsulfonyl-benzenesulfonamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-2-methylsulfonylbenzenesulfonamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-methylsulfonylbenzenesulfonamide Traditional Name: N-(1-homoveratrylpyrazol-4-yl)-2-mesyl-benzenesulfonamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NS(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NS(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)OC

InChI

InChI=1S/C20H23N3O6S2/c1-28-17-9-8-15(12-18(17)29-2)10-11-23-14-16(13-21-23)22-31(26,27)20-7-5-4-6-19(20)30(3,24)25/h4-9,12-14,22H,10-11H2,1-3H3