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

Systemtic Name: 5-cyano-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid CAS Name: 5-cyano-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 5-cyano-2-[(4-pyrrolidinosulfonylbenzoyl)amino]benzoic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H17N3O5S/c20-12-13-3-8-17(16(11-13)19(24)25)21-18(23)14-4-6-15(7-5-14)28(26,27)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H,21,23)(H,24,25)