methyl 2-[1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(4-methoxy-3-nitrophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methoxy-3-nitrophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazin-2-yl]acetic acid methyl ester Formula: C14H17N3O8S MolecularWeight: 387.36508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O8S/c1-24-12-4-3-9(7-10(12)17(20)21)26(22,23)16-6-5-15-14(19)11(16)8-13(18)25-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)