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

Systemtic Name: 2-methoxy-5-[[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]methyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-14-5-7-16(30(27,28)23-9-3-4-10-23)12-17(14)20(24)22-13-15-6-8-19(29-2)18(11-15)21(25)26/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,24)(H,25,26)