methyl 4,5-dimethoxy-2-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(4-pyrrolidinosulfonylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H26N2O8S/c1-29-19-12-17(22(26)31-3)18(13-20(19)30-2)23-21(25)14-32-15-6-8-16(9-7-15)33(27,28)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,25)