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

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-ethoxybenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO6S/c1-2-28-21-9-5-4-8-19(21)22(25)29-16-20(24)17-10-12-18(13-11-17)30(26,27)23-14-6-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3