methyl 2-[2-[(2-nitrophenyl)methylsulfonylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(2-nitrophenyl)methylsulfonylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-nitrophenyl)methylsulfonylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[(2-nitrophenyl)methylsulfonylamino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-nitrophenyl)methylsulfonylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2-nitrobenzyl)sulfonylamino]acetyl]amino]hexanoic acid methyl ester Formula: C16H23N3O7S MolecularWeight: 401.43472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O7S/c1-3-4-8-13(16(21)26-2)18-15(20)10-17-27(24,25)11-12-7-5-6-9-14(12)19(22)23/h5-7,9,13,17H,3-4,8,10-11H2,1-2H3,(H,18,20)