4-chloranyl-3-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(4-methoxy-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(4-methoxy-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C18H19ClN2O8S2 MolecularWeight: 490.93506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H19ClN2O8S2/c1-28-15-5-3-13(11-17(15)31(26,27)21-6-8-29-9-7-21)20-30(24,25)16-10-12(18(22)23)2-4-14(16)19/h2-5,10-11,20H,6-9H2,1H3,(H,22,23)