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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6S2/c1-12-5-8-17(9-6-12)26(22,23)13-3-4-15(14(11-13)18(20)21)25-10-7-16(19)24-2/h3-4,11-12H,5-10H2,1-2H3