N-[2-(4-tert-butylphenyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-tert-butylphenyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-tert-butylphenyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C26H36N2O3S/c1-19-6-11-24(18-20(19)2)32(30,31)28-16-13-22(14-17-28)25(29)27-15-12-21-7-9-23(10-8-21)26(3,4)5/h6-11,18,22H,12-17H2,1-5H3,(H,27,29)