[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O7S/c1-14-3-6-17(7-4-14)31(26,27)22-10-9-20(24)30-15(2)21(25)23-16-5-8-18-19(13-16)29-12-11-28-18/h3-8,13,15,22H,9-12H2,1-2H3,(H,23,25)