[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-methylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-methylbenzoate Traditional Name: 3-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(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-16-6-5-7-18(14-16)21(24)27-15-20(23)17-8-10-19(11-9-17)28(25,26)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13,15H2,1H3