2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonyl-methyl-amino]benzoic acid Openeye Name: 2-[(4-chloro-3-morpholinosulfonyl-benzoyl)-methyl-amino]benzoic acid CAS Name: 2-[[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-methylamino]benzoic acid IUPAC Name: 2-[(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)-methylamino]benzoic acid Traditional Name: 2-[(4-chloro-3-morpholinosulfonyl-benzoyl)-methyl-amino]benzoic acid Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H19ClN2O6S/c1-21(16-5-3-2-4-14(16)19(24)25)18(23)13-6-7-15(20)17(12-13)29(26,27)22-8-10-28-11-9-22/h2-7,12H,8-11H2,1H3,(H,24,25)