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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCC4

InChI

InChI=1S/C26H32N2O6S/c1-2-20-6-8-21(9-7-20)25(29)19-34-26(30)23-18-22(35(31,32)28-14-16-33-17-15-28)10-11-24(23)27-12-4-3-5-13-27/h6-11,18H,2-5,12-17,19H2,1H3