N-(4-bromanyl-3-methyl-phenyl)-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]acetamide Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CC(=O)NC3=CC(=C(C=C3)Br)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CC(=O)NC3=CC(=C(C=C3)Br)C)C

InChI

InChI=1S/C20H27BrN4O3S/c1-13-7-9-24(10-8-13)29(27,28)20-15(3)23-25(16(20)4)12-19(26)22-17-5-6-18(21)14(2)11-17/h5-6,11,13H,7-10,12H2,1-4H3,(H,22,26)