methyl 5-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-3-sulfanylidene-pentanoate

Systemtic Name: methyl 5-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-3-sulfanylidene-pentanoate Openeye Name: methyl 5-[1-(4-methoxyphenyl)sulfonyl-2-piperidyl]-3-thioxo-pentanoate CAS Name: 5-[1-(4-methoxyphenyl)sulfonyl-2-piperidinyl]-3-sulfanylidenepentanoic acid methyl ester IUPAC Name: methyl 5-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-3-sulfanylidenepentanoate Traditional Name: 5-[1-(4-methoxyphenyl)sulfonyl-2-piperidyl]-3-thioxo-valeric acid methyl ester Formula: C18H25NO5S2 MolecularWeight: 399.5248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCC(=S)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCC(=S)CC(=O)OC

InChI

InChI=1S/C18H25NO5S2/c1-23-15-7-10-17(11-8-15)26(21,22)19-12-4-3-5-14(19)6-9-16(25)13-18(20)24-2/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3