methyl 2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(3-indan-5-ylsulfonylpropanoylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-(3-indan-5-ylsulfonylpropanoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC3=C(CCC3)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCS(=O)(=O)C2=CC3=C(CCC3)C=C2)OC

InChI

InChI=1S/C22H25NO7S/c1-28-19-12-17(22(25)30-3)18(13-20(19)29-2)23-21(24)9-10-31(26,27)16-8-7-14-5-4-6-15(14)11-16/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,24)