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

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C18H17ClN2O7S MolecularWeight: 440.85478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O7S/c1-26-18(23)11-3-5-13(19)14(7-11)20-17(22)9-21(29(2,24)25)12-4-6-15-16(8-12)28-10-27-15/h3-8H,9-10H2,1-2H3,(H,20,22)