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

Systemtic Name: methyl 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(mesyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O7S/c1-13-4-5-14(20(24)27-2)10-16(13)21-19(23)12-22(30(3,25)26)15-6-7-17-18(11-15)29-9-8-28-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)