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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-14-8-9-18(12-20(14)26(28)29)22(27)25-16(3)21(15(2)23-25)32(30,31)24-11-10-17-6-4-5-7-19(17)13-24/h4-9,12H,10-11,13H2,1-3H3