[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H22N2O9S MolecularWeight: 478.47238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N2O9S/c1-28-17-4-2-14(10-19(17)33(26,27)23-6-8-29-9-7-23)21(25)30-12-20(24)22-15-3-5-16-18(11-15)32-13-31-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,24)