2-methoxy-5-[[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]methyl]benzoic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-29-17-7-5-14(11-16(17)21(25)26)13-22-20(24)15-6-8-18(30-2)19(12-15)31(27,28)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,24)(H,25,26)