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

Systemtic Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-1-oxopropyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]propanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-5-29-22(26)16-7-6-14(2)18(12-16)23-21(25)15(3)24(32(4,27)28)17-8-9-19-20(13-17)31-11-10-30-19/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,23,25)