N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: N-homoveratryl-1-methyl-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CS2)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H21N3O4S2/c1-21-12-17(18(20-21)16-5-4-10-26-16)27(22,23)19-9-8-13-6-7-14(24-2)15(11-13)25-3/h4-7,10-12,19H,8-9H2,1-3H3