(2S)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-2-(methylsulfonylamino)pentanamide

Systemtic Name: (2S)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-2-(methylsulfonylamino)pentanamide Openeye Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]pentanamide CAS Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]pentanamide IUPAC Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]pentanamide Traditional Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]valeramide Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC1=CC(=C(C=C1)OCC#CCC)OC)NS(=O)(=O)C

Isomeric SMILES

CCC[C@@H](C(=O)NCCC1=CC(=C(C=C1)OCC#CCC)OC)NS(=O)(=O)C

InChI

InChI=1S/C20H30N2O5S/c1-5-7-8-14-27-18-11-10-16(15-19(18)26-3)12-13-21-20(23)17(9-6-2)22-28(4,24)25/h10-11,15,17,22H,5-6,9,12-14H2,1-4H3,(H,21,23)/t17-/m0/s1