2-methoxy-5-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(4-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=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

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

InChI

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