[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-(4-piperidinosulfonylphenyl)methanone Formula: C23H24N4O5S2 MolecularWeight: 500.59046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5S2/c1-16-22(33-20-10-8-19(9-11-20)27(29)30)17(2)26(24-16)23(28)18-6-12-21(13-7-18)34(31,32)25-14-4-3-5-15-25/h6-13H,3-5,14-15H2,1-2H3