methyl 4,5-dimethoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(3-pyrrolidinosulfonylbenzoyl)amino]benzoic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-28-18-12-16(21(25)30-3)17(13-19(18)29-2)22-20(24)14-7-6-8-15(11-14)31(26,27)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,24)