N-[1-(4-butan-2-ylphenyl)-2-methyl-propyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)-2-methyl-propyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[2-methyl-1-(4-sec-butylphenyl)propyl]piperidine-4-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: 1-esyl-N-[2-methyl-1-(4-sec-butylphenyl)propyl]isonipecotamide Formula: C22H36N2O3S MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC

InChI

InChI=1S/C22H36N2O3S/c1-6-17(5)18-8-10-19(11-9-18)21(16(3)4)23-22(25)20-12-14-24(15-13-20)28(26,27)7-2/h8-11,16-17,20-21H,6-7,12-15H2,1-5H3,(H,23,25)