N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-2,5-dimethyl-benzenesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NS(=O)(=O)C3=C(C=CC(=C3)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NS(=O)(=O)C3=C(C=CC(=C3)C)C)OCC

InChI

InChI=1S/C22H27N3O4S/c1-5-28-20-10-9-18(12-21(20)29-6-2)14-25-15-19(13-23-25)24-30(26,27)22-11-16(3)7-8-17(22)4/h7-13,15,24H,5-6,14H2,1-4H3