[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone

Systemtic Name: [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone Openeye Name: [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)methanone CAS Name: [1-(4-bromophenyl)sulfonyl-2-pyrrolidinyl]-[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]methanone IUPAC Name: [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone Traditional Name: (1-brosylpyrrolidin-2-yl)-[3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]methanone Formula: C22H22BrN3O3S2 MolecularWeight: 520.46238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Br)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Br)C)SC4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3O3S2/c1-15-21(30-18-7-4-3-5-8-18)16(2)26(24-15)22(27)20-9-6-14-25(20)31(28,29)19-12-10-17(23)11-13-19/h3-5,7-8,10-13,20H,6,9,14H2,1-2H3