[4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-bromophenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-bromophenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-bromophenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3-bromophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3-bromophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3-bromophenyl)methanone Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)Br)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)Br)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22BrN3O3S/c1-13-17(26(24,25)21-10-5-3-4-6-11-21)14(2)22(20-13)18(23)15-8-7-9-16(19)12-15/h7-9,12H,3-6,10-11H2,1-2H3