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

Systemtic Name: (2S)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-2-(methylsulfonylamino)-3-oxidanyl-butanamide Openeye Name: (2S)-3-hydroxy-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]butanamide CAS Name: (2S)-3-hydroxy-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]butanamide IUPAC Name: (2S)-3-hydroxy-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]butanamide Traditional Name: (2S)-3-hydroxy-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]butyramide Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=C(C=C(C=C1)CCNC(=O)C(C(C)O)NS(=O)(=O)C)OC

Isomeric SMILES

CCC#CCOC1=C(C=C(C=C1)CCNC(=O)[C@H](C(C)O)NS(=O)(=O)C)OC

InChI

InChI=1S/C19H28N2O6S/c1-5-6-7-12-27-16-9-8-15(13-17(16)26-3)10-11-20-19(23)18(14(2)22)21-28(4,24)25/h8-9,13-14,18,21-22H,5,10-12H2,1-4H3,(H,20,23)/t14?,18-/m0/s1