methyl 7-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]heptanoate Openeye Name: methyl 7-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]heptanoate CAS Name: 7-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate Traditional Name: 7-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]enanthic acid methyl ester Formula: C19H30N2O5S2 MolecularWeight: 430.5819

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H30N2O5S2/c1-26-18(23)9-5-2-3-6-12-20-17(22)15-16-10-11-19(27-16)28(24,25)21-13-7-4-8-14-21/h10-11H,2-9,12-15H2,1H3,(H,20,22)