(2S,3S)-2-[(4-ethanoylphenyl)sulfonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(4-ethanoylphenyl)sulfonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(4-acetylphenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(4-acetylphenyl)sulfonylamino]-3-methyl-valerate Formula: C14H18NO5S- MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C14H19NO5S/c1-4-9(2)13(14(17)18)15-21(19,20)12-7-5-11(6-8-12)10(3)16/h5-9,13,15H,4H2,1-3H3,(H,17,18)/p-1/t9-,13-/m0/s1