(4-bromophenyl)-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methanone

Systemtic Name: (4-bromophenyl)-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methanone Openeye Name: (4-bromophenyl)-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methanone CAS Name: (4-bromophenyl)-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methanone IUPAC Name: (4-bromophenyl)-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone Traditional Name: (4-bromophenyl)-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methanone Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)Br)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)Br)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H20BrN3O3S/c1-12-16(25(23,24)20-10-4-3-5-11-20)13(2)21(19-12)17(22)14-6-8-15(18)9-7-14/h6-9H,3-5,10-11H2,1-2H3