N-[(3-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-mesitylsulfonyl-isonipecotamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-15-11-16(2)21(17(3)12-15)29(27,28)25-9-7-19(8-10-25)22(26)24-14-18-5-4-6-20(23)13-18/h4-6,11-13,19H,7-10,14H2,1-3H3,(H,24,26)