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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H29N3O7S/c27-22(24-16-18-5-4-12-32-18)17-33-23(28)20-15-19(34(29,30)26-10-13-31-14-11-26)6-7-21(20)25-8-2-1-3-9-25/h4-7,12,15H,1-3,8-11,13-14,16-17H2,(H,24,27)