N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-mesyl-isonipecotamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C2CCN(CC2)S(=O)(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C2CCN(CC2)S(=O)(=O)C)C)C(C)(C)C

InChI

InChI=1S/C21H34N2O3S/c1-15-13-18(21(3,4)5)14-16(2)19(15)7-10-22-20(24)17-8-11-23(12-9-17)27(6,25)26/h13-14,17H,7-12H2,1-6H3,(H,22,24)