N-(2-ethyl-6-methyl-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C)C

InChI

InChI=1S/C23H30N2O3S/c1-4-19-11-7-9-18(3)22(19)24-23(26)20-12-14-25(15-13-20)29(27,28)16-21-10-6-5-8-17(21)2/h5-11,20H,4,12-16H2,1-3H3,(H,24,26)