ethyl 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2-methyl-5-nitrophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-methyl-5-nitrophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-2-yl]acetic acid ethyl ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H19N3O7S/c1-3-25-14(19)9-12-15(20)16-6-7-17(12)26(23,24)13-8-11(18(21)22)5-4-10(13)2/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,16,20)