2-methoxy-5-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(3-pyrrolidinosulfonylbenzoyl)amino]methyl]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-28-18-8-7-14(11-17(18)20(24)25)13-21-19(23)15-5-4-6-16(12-15)29(26,27)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)(H,24,25)