methyl 4-(2-hydroxyethyl)-1-(4-nitrophenyl)sulfonyl-5-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 4-(2-hydroxyethyl)-1-(4-nitrophenyl)sulfonyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 4-(2-hydroxyethyl)-1-(4-nitrophenyl)sulfonyl-5-oxo-piperazine-2-carboxylate CAS Name: 4-(2-hydroxyethyl)-1-(4-nitrophenyl)sulfonyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-hydroxyethyl)-1-(4-nitrophenyl)sulfonyl-5-oxopiperazine-2-carboxylate Traditional Name: 4-(2-hydroxyethyl)-5-keto-1-nosyl-piperazine-2-carboxylic acid methyl ester Formula: C14H17N3O8S MolecularWeight: 387.36508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCO

Isomeric SMILES

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCO

InChI

InChI=1S/C14H17N3O8S/c1-25-14(20)12-8-15(6-7-18)13(19)9-16(12)26(23,24)11-4-2-10(3-5-11)17(21)22/h2-5,12,18H,6-9H2,1H3