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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-nitrophenyl)methanone Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-14-20(31(29,30)23-11-10-16-6-3-4-7-18(16)13-23)15(2)24(22-14)21(26)17-8-5-9-19(12-17)25(27)28/h3-9,12H,10-11,13H2,1-2H3