(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(4-nitrophenyl)methanone Openeye Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(4-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]-(4-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazol-1-yl)-(4-nitrophenyl)methanone Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H18N4O5S/c1-11-15(26(24,25)18-9-3-4-10-18)12(2)19(17-11)16(21)13-5-7-14(8-6-13)20(22)23/h5-8H,3-4,9-10H2,1-2H3