methyl 2-chloranyl-5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate CAS Name: 2-chloro-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Traditional Name: 2-chloro-5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoic acid methyl ester Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Cl

InChI

InChI=1S/C19H18ClNO7S/c1-26-19(23)14-10-12(2-4-15(14)20)21-18(22)6-9-29(24,25)13-3-5-16-17(11-13)28-8-7-27-16/h2-5,10-11H,6-9H2,1H3,(H,21,22)