methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-nitrophenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-nitrophenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[2-(tert-butoxycarbonylamino)ethyl-(2-nitrophenyl)sulfonyl-amino]acetate CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl-(2-nitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[2-(tert-butoxycarbonylamino)ethyl-(2-nitrophenyl)sulfonyl-amino]acetic acid methyl ester Formula: C16H23N3O8S MolecularWeight: 417.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O8S/c1-16(2,3)27-15(21)17-9-10-18(11-14(20)26-4)28(24,25)13-8-6-5-7-12(13)19(22)23/h5-8H,9-11H2,1-4H3,(H,17,21)