N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-[(1-methyl-4-pyrazolyl)methyl]benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide Traditional Name: N-homoveratryl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CN(N=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CN(N=C3)C

InChI

InChI=1S/C22H27N3O4S/c1-17-5-8-20(9-6-17)30(26,27)25(16-19-14-23-24(2)15-19)12-11-18-7-10-21(28-3)22(13-18)29-4/h5-10,13-15H,11-12,16H2,1-4H3