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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(p-tolylsulfanyl)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-methylphenyl)thio]-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(p-tolylthio)-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H20N2O4S2/c1-12-4-6-14(7-5-12)25-17-15(20-8-2-3-9-20)10-13(18(21)22)11-16(17)26(19,23)24/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)(H2,19,23,24)