1-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)ethanone Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C22H21N3O5S/c1-14-22(31(27,28)25-10-9-16-5-3-4-6-18(16)25)15(2)24(23-14)12-19(26)17-7-8-20-21(11-17)30-13-29-20/h3-8,11H,9-10,12-13H2,1-2H3