(2S)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide Openeye Name: (2S)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-ethylsulfonyl-4-piperidyl)propanamide CAS Name: (2S)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-ethylsulfonyl-4-piperidinyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide Traditional Name: (2S)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-esyl-4-piperidyl)propionamide Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC(=O)C(CC2=C(C=CC(=C2)OC)OC)NC(=O)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@H](CC2=C(C=CC(=C2)OC)OC)NC(=O)C

InChI

InChI=1S/C20H31N3O6S/c1-5-30(26,27)23-10-8-16(9-11-23)22-20(25)18(21-14(2)24)13-15-12-17(28-3)6-7-19(15)29-4/h6-7,12,16,18H,5,8-11,13H2,1-4H3,(H,21,24)(H,22,25)/t18-/m0/s1