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

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O7S/c1-25-18(22)12-4-3-5-13(8-12)19-17(21)10-20(28(2,23)24)14-6-7-15-16(9-14)27-11-26-15/h3-9H,10-11H2,1-2H3,(H,19,21)