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

Systemtic Name: ethyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(esyl)amino]acetyl]amino]-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)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC

Isomeric SMILES

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

InChI

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