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

Systemtic Name: (2S)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-4-methylsulfanyl-2-(methylsulfonylamino)butanamide Openeye Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethyl]-4-(methylthio)butyramide Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S2/c1-5-6-7-13-27-18-9-8-16(15-19(18)26-2)10-12-21-20(23)17(11-14-28-3)22-29(4,24)25/h8-9,15,17,22H,5,10-14H2,1-4H3,(H,21,23)/t17-/m0/s1