N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[(1S)-1-p-phenetylethyl]isonipecotamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C25H34N2O4S/c1-6-31-23-9-7-21(8-10-23)20(5)26-25(28)22-11-13-27(14-12-22)32(29,30)24-18(3)15-17(2)16-19(24)4/h7-10,15-16,20,22H,6,11-14H2,1-5H3,(H,26,28)/t20-/m0/s1