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

Systemtic Name: 3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H20N2O6S/c1-27-16-8-7-13(12-17(16)28(25,26)21-9-2-3-10-21)18(22)20-15-6-4-5-14(11-15)19(23)24/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)(H,23,24)