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

Systemtic Name: methyl 2-[1-(2-methyl-5-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C14H17N3O7S/c1-9-3-4-10(17(20)21)7-12(9)25(22,23)16-6-5-15-14(19)11(16)8-13(18)24-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)