[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CN2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CN2)S(=O)(=O)N3CCCCC3

InChI

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