3-methylbutyl (2S)-2-[(4-methylsulfanylphenyl)sulfonylamino]-2-phenyl-ethanoate

Systemtic Name: 3-methylbutyl (2S)-2-[(4-methylsulfanylphenyl)sulfonylamino]-2-phenyl-ethanoate Openeye Name: isopentyl (2S)-2-[(4-methylsulfanylphenyl)sulfonylamino]-2-phenyl-acetate CAS Name: (2S)-2-[[4-(methylthio)phenyl]sulfonylamino]-2-phenylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[(4-methylsulfanylphenyl)sulfonylamino]-2-phenylacetate Traditional Name: (2S)-2-[[4-(methylthio)phenyl]sulfonylamino]-2-phenyl-acetic acid isoamyl ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)CCOC(=O)[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H25NO4S2/c1-15(2)13-14-25-20(22)19(16-7-5-4-6-8-16)21-27(23,24)18-11-9-17(26-3)10-12-18/h4-12,15,19,21H,13-14H2,1-3H3/t19-/m0/s1