methyl 4-[(2-nitrophenyl)methylsulfonyl-pyrimidin-2-yl-amino]butanoate

Systemtic Name: methyl 4-[(2-nitrophenyl)methylsulfonyl-pyrimidin-2-yl-amino]butanoate Openeye Name: methyl 4-[(2-nitrophenyl)methylsulfonyl-pyrimidin-2-yl-amino]butanoate CAS Name: 4-[(2-nitrophenyl)methylsulfonyl-(2-pyrimidinyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-nitrophenyl)methylsulfonyl-pyrimidin-2-ylamino]butanoate Traditional Name: 4-[(2-nitrobenzyl)sulfonyl-(2-pyrimidyl)amino]butyric acid methyl ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(C1=NC=CC=N1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN(C1=NC=CC=N1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S/c1-26-15(21)8-4-11-19(16-17-9-5-10-18-16)27(24,25)12-13-6-2-3-7-14(13)20(22)23/h2-3,5-7,9-10H,4,8,11-12H2,1H3