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

Systemtic Name: methyl 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]acetic acid methyl ester Formula: C15H20N2O6S2 MolecularWeight: 388.4591

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S2/c1-11-4-3-7-16(9-11)25(21,22)12-5-6-14(13(8-12)17(19)20)24-10-15(18)23-2/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m0/s1