4-(4-methylphenyl)sulfinyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-methylphenyl)sulfinyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(p-tolylsulfinyl)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-(4-methylphenyl)sulfinyl-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-methylphenyl)sulfinyl-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(p-tolylsulfinyl)-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H20N2O5S2/c1-12-4-6-14(7-5-12)26(23)17-15(20-8-2-3-9-20)10-13(18(21)22)11-16(17)27(19,24)25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)(H2,19,24,25)