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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-chloro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-1-mesitylsulfonyl-nipecotamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=C(C=C3)Cl)C)C

InChI

InChI=1S/C22H27ClN2O3S/c1-14-10-16(3)21(17(4)11-14)29(27,28)25-9-5-6-18(13-25)22(26)24-20-8-7-19(23)12-15(20)2/h7-8,10-12,18H,5-6,9,13H2,1-4H3,(H,24,26)