[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

InChI

InChI=1S/C21H29N3O6S/c1-2-8-22-20(25)16-30-21(26)18-15-17(31(27,28)24-9-4-3-5-10-24)6-7-19(18)23-11-13-29-14-12-23/h2,6-7,15H,1,3-5,8-14,16H2,(H,22,25)