ethyl 2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6S2/c1-3-24-16(19)11-25-15-7-6-13(9-14(15)18(20)21)26(22,23)17-8-4-5-12(2)10-17/h6-7,9,12H,3-5,8,10-11H2,1-2H3