(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone Openeye Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]-(2-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-nitrophenyl)methanone Traditional Name: (3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazol-1-yl)-(2-nitrophenyl)methanone Formula: C16H18N4O5S MolecularWeight: 378.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-11-15(26(24,25)18-9-5-6-10-18)12(2)19(17-11)16(21)13-7-3-4-8-14(13)20(22)23/h3-4,7-8H,5-6,9-10H2,1-2H3