4-methylsulfanyl-N-[[3-(methylsulfonylamino)phenyl]methyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: 4-methylsulfanyl-N-[[3-(methylsulfonylamino)phenyl]methyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[[3-(methanesulfonamido)phenyl]methyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[3-(methanesulfonamido)benzyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC(=CC=C1)NS(=O)(=O)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCC1=CC(=CC=C1)NS(=O)(=O)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O5S2/c1-30-12-11-19(23-20(25)15-29-18-9-4-3-5-10-18)21(26)22-14-16-7-6-8-17(13-16)24-31(2,27)28/h3-10,13,19,24H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,25)