N-[(3-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC(=CC=C3)Cl)C

InChI

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