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

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(2-methyl-3-nitro-phenyl)methanone Formula: C19H24N4O5S MolecularWeight: 420.48266

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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)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C19H24N4O5S/c1-13-16(9-8-10-17(13)23(25)26)19(24)22-15(3)18(14(2)20-22)29(27,28)21-11-6-4-5-7-12-21/h8-10H,4-7,11-12H2,1-3H3