3-(3-methylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoyl-benzoic acid CAS Name: 3-(3-methyl-1-pyrrolidinyl)-4-(phenylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-(3-methylpyrrolidin-1-yl)-4-phenylsulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(3-methylpyrrolidino)-4-(phenylthio)-5-sulfamoyl-benzoic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S2/c1-12-7-8-20(11-12)15-9-13(18(21)22)10-16(26(19,23)24)17(15)25-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,22)(H2,19,23,24)