(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone Openeye Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone CAS Name: [3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-methyl-3-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazol-1-yl)-(2-methyl-3-nitro-phenyl)methanone Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C17H20N4O5S/c1-11-14(7-6-8-15(11)21(23)24)17(22)20-13(3)16(12(2)18-20)27(25,26)19-9-4-5-10-19/h6-8H,4-5,9-10H2,1-3H3