methyl (2R,3S)-2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-valeric acid methyl ester Formula: C14H19ClN2O6S MolecularWeight: 378.82846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C14H19ClN2O6S/c1-5-8(2)13(14(18)23-4)16-24(21,22)10-6-11(15)9(3)12(7-10)17(19)20/h6-8,13,16H,5H2,1-4H3/t8-,13+/m0/s1