2-chloranyl-5-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C18H19ClN2O7S2 MolecularWeight: 474.93566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H19ClN2O7S2/c1-12-2-3-13(10-17(12)30(26,27)21-6-8-28-9-7-21)20-29(24,25)14-4-5-16(19)15(11-14)18(22)23/h2-5,10-11,20H,6-9H2,1H3,(H,22,23)