[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21NO5S2/c1-14-5-10-18(26-14)17(21)13-25-19(22)15-6-8-16(9-7-15)27(23,24)20-11-3-2-4-12-20/h5-10H,2-4,11-13H2,1H3