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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,5-dinitrophenyl)methanone Formula: C21H19N5O7S MolecularWeight: 485.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19N5O7S/c1-13-20(34(32,33)23-8-7-15-5-3-4-6-16(15)12-23)14(2)24(22-13)21(27)17-9-18(25(28)29)11-19(10-17)26(30)31/h3-6,9-11H,7-8,12H2,1-2H3