[2-(methylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 5-morpholinosulfonyl-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-pyrrolidino-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3

Isomeric SMILES

CNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3

InChI

InChI=1S/C18H25N3O6S/c1-19-17(22)13-27-18(23)15-12-14(4-5-16(15)20-6-2-3-7-20)28(24,25)21-8-10-26-11-9-21/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,22)