[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C26H32N2O7S MolecularWeight: 516.60648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

InChI

InChI=1S/C26H32N2O7S/c1-2-34-21-8-6-20(7-9-21)25(29)19-35-26(30)23-18-22(36(31,32)28-12-4-3-5-13-28)10-11-24(23)27-14-16-33-17-15-27/h6-11,18H,2-5,12-17,19H2,1H3