[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H30N2O5S2/c23-18(21-14-16-7-3-1-4-8-16)15-27-19(24)13-17-9-10-20(28-17)29(25,26)22-11-5-2-6-12-22/h9-10,16H,1-8,11-15H2,(H,21,23)