ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]benzoate Openeye Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]benzoate Traditional Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]propanoylamino]benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O7S/c1-4-28-21(25)15-6-5-7-16(12-15)22-20(24)14(2)23(31(3,26)27)17-8-9-18-19(13-17)30-11-10-29-18/h5-9,12-14H,4,10-11H2,1-3H3,(H,22,24)