5-cyano-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[(3-morpholinosulfonylbenzoyl)amino]benzoic acid CAS Name: 5-cyano-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 5-cyano-2-[(3-morpholinosulfonylbenzoyl)amino]benzoic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H17N3O6S/c20-12-13-4-5-17(16(10-13)19(24)25)21-18(23)14-2-1-3-15(11-14)29(26,27)22-6-8-28-9-7-22/h1-5,10-11H,6-9H2,(H,21,23)(H,24,25)