N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC(C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H]3CCC[C@@H]([C@@H]3C)C

InChI

InChI=1S/C22H34N2O4S/c1-4-28-19-8-10-20(11-9-19)29(26,27)24-14-12-18(13-15-24)22(25)23-21-7-5-6-16(2)17(21)3/h8-11,16-18,21H,4-7,12-15H2,1-3H3,(H,23,25)/t16-,17-,21-/m0/s1