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

Systemtic Name: (4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)methanone Openeye Name: (4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-pyrazol-1-yl)methanone CAS Name: (4-bromophenyl)-[3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)-1-pyrazolyl]methanone IUPAC Name: (4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone Traditional Name: (4-bromophenyl)-(3,5-dimethyl-4-pyrrolidinosulfonyl-pyrazol-1-yl)methanone Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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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)N3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)Br)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H18BrN3O3S/c1-11-15(24(22,23)19-9-3-4-10-19)12(2)20(18-11)16(21)13-5-7-14(17)8-6-13/h5-8H,3-4,9-10H2,1-2H3