[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C19H22N2O5S/c1-14-7-8-15(27(24,25)21-10-3-2-4-11-21)12-16(14)19(23)26-13-18(22)17-6-5-9-20-17/h5-9,12,20H,2-4,10-11,13H2,1H3