[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O6S/c1-2-6-21(17-7-4-3-5-8-17)25-22(27)16-32-23(28)19-15-18(9-10-20(19)24)33(29,30)26-11-13-31-14-12-26/h3-5,7-10,15,21H,2,6,11-14,16H2,1H3,(H,25,27)