1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(2-nitrophenoxy)ethanone Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2[N+](=O)[O-])C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=CC=C2[N+](=O)[O-])C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N4O6S/c1-15-22(33(30,31)24-12-11-17-7-3-4-8-18(17)13-24)16(2)25(23-15)21(27)14-32-20-10-6-5-9-19(20)26(28)29/h3-10H,11-14H2,1-2H3