methyl 4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate CAS Name: 4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(nosylamino)valeric acid methyl ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-9(2)8-12(13(16)21-3)14-22(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,12,14H,8H2,1-3H3