methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylpropanoate CAS Name: 3-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanylpropanoate Traditional Name: 3-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]propionic acid methyl ester Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6S2/c1-16-6-8-17(9-7-16)26(22,23)12-3-4-14(13(11-12)18(20)21)25-10-5-15(19)24-2/h3-4,11H,5-10H2,1-2H3