ethyl 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6S2/c1-3-24-15(19)11-25-14-5-4-12(10-13(14)18(20)21)26(22,23)17-8-6-16(2)7-9-17/h4-5,10H,3,6-9,11H2,1-2H3