[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

Systemtic Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Openeye Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methanone IUPAC Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone Traditional Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-(1-tosylpyrrolidin-2-yl)methanone Formula: C23H24N4O5S2 MolecularWeight: 500.59046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3C(=C(C(=N3)C)SC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3C(=C(C(=N3)C)SC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O5S2/c1-15-10-12-18(13-11-15)34(31,32)25-14-6-8-20(25)23(28)26-17(3)22(16(2)24-26)33-21-9-5-4-7-19(21)27(29)30/h4-5,7,9-13,20H,6,8,14H2,1-3H3