2-methoxy-5-[[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]methyl]benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-30-20-10-6-17(14-19(20)22(26)27)15-23-21(25)11-7-16-4-8-18(9-5-16)31(28,29)24-12-2-3-13-24/h4-6,8-10,14H,2-3,7,11-13,15H2,1H3,(H,23,25)(H,26,27)