phenacyl (2S)-4-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate

Systemtic Name: phenacyl (2S)-4-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate Openeye Name: phenacyl (2S)-4-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate CAS Name: (2S)-4-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]pentanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-4-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[methyl(nosyl)amino]valeric acid phenacyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-15(2)13-19(21(25)30-14-20(24)16-7-5-4-6-8-16)22(3)31(28,29)18-11-9-17(10-12-18)23(26)27/h4-12,15,19H,13-14H2,1-3H3/t19-/m0/s1