[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6S/c1-2-15-3-5-16(6-4-15)20(24)14-29-21(25)18-13-17(7-8-19(18)22)30(26,27)23-9-11-28-12-10-23/h3-8,13H,2,9-12,14H2,1H3