methyl 3-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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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)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O7S/c1-12-4-5-13(19(23)26-2)8-15(12)20-18(22)10-21(29(3,24)25)14-6-7-16-17(9-14)28-11-27-16/h4-9H,10-11H2,1-3H3,(H,20,22)