methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(2-nitrophenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(2-nitrophenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[3-(tert-butoxycarbonylamino)propyl-(2-nitrophenyl)sulfonyl-amino]acetate CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-(2-nitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[3-(tert-butoxycarbonylamino)propyl-(2-nitrophenyl)sulfonyl-amino]acetic acid methyl ester Formula: C17H25N3O8S MolecularWeight: 431.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O8S/c1-17(2,3)28-16(22)18-10-7-11-19(12-15(21)27-4)29(25,26)14-9-6-5-8-13(14)20(23)24/h5-6,8-9H,7,10-12H2,1-4H3,(H,18,22)