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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O6S/c22-19-7-6-17(31(27,28)24-10-12-29-13-11-24)14-18(19)21(26)30-15-20(25)23-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,25)