N-(4-bromanyl-3-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-3-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)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C)C

InChI

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