[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-hydroxy-5-morpholinosulfonyl-benzoate CAS Name: 2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-morpholinosulfonyl-benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O

InChI

InChI=1S/C16H20N2O7S/c19-14-4-3-12(26(22,23)18-5-7-24-8-6-18)9-13(14)16(21)25-10-15(20)17-11-1-2-11/h3-4,9,11,19H,1-2,5-8,10H2,(H,17,20)