methyl 4,5-dimethoxy-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[4-(pyrrolidinosulfonylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-29-19-12-17(22(26)31-3)18(13-20(19)30-2)23-21(25)16-8-6-15(7-9-16)14-32(27,28)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,25)