methyl 2-[1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H16ClN3O7S MolecularWeight: 405.81074

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O7S/c1-8-10(15)5-9(6-11(8)18(21)22)26(23,24)17-4-3-16-14(20)12(17)7-13(19)25-2/h5-6,12H,3-4,7H2,1-2H3,(H,16,20)