[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21BrN4O3S/c1-13-16(12-19-22(13)15-6-4-14(18)5-7-15)17(23)20-8-3-9-21(11-10-20)26(2,24)25/h4-7,12H,3,8-11H2,1-2H3