(2S)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-piperidin-2-yl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-piperidin-2-yl]amino]hexanoic acid Openeye Name: (2S)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2-piperidyl]amino]hexanoic acid CAS Name: (2S)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2-piperidinyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidin-2-yl]amino]hexanoic acid Traditional Name: (2S)-2-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-2-piperidyl]amino]hexanoic acid Formula: C20H32N2O6S MolecularWeight: 428.54288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1CC(CCN1S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC1CC(CCN1S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C20H32N2O6S/c1-5-6-7-16(20(23)24)21-19-12-14(2)10-11-22(19)29(25,26)15-8-9-17(27-3)18(13-15)28-4/h8-9,13-14,16,19,21H,5-7,10-12H2,1-4H3,(H,23,24)/t14?,16-,19?/m0/s1