[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO5S/c1-16-7-3-4-8-19(16)21(24)27-15-20(23)17-9-11-18(12-10-17)28(25,26)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3