[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H24N2O5S2/c1-15-7-8-17(29(25,26)22-9-3-2-4-10-22)12-18(15)20(24)27-14-19(23)21-13-16-6-5-11-28-16/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,21,23)