N-(2-bromanyl-4-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-mesitylsulfonyl-isonipecotamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-14-5-6-20(19(23)13-14)24-22(26)18-7-9-25(10-8-18)29(27,28)21-16(3)11-15(2)12-17(21)4/h5-6,11-13,18H,7-10H2,1-4H3,(H,24,26)