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

Systemtic Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: 1-esyl-N-[1-(4-ethylphenyl)-2-methyl-propyl]isonipecotamide Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC

InChI

InChI=1S/C20H32N2O3S/c1-5-16-7-9-17(10-8-16)19(15(3)4)21-20(23)18-11-13-22(14-12-18)26(24,25)6-2/h7-10,15,18-19H,5-6,11-14H2,1-4H3,(H,21,23)