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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

InChI

InChI=1S/C21H27N3O6S/c1-2-8-22-20(25)16-30-21(26)18-15-17(31(27,28)24-11-13-29-14-12-24)6-7-19(18)23-9-4-3-5-10-23/h1,6-7,15H,3-5,8-14,16H2,(H,22,25)