3-(1-methylpyrrolidin-3-yl)-4-phenyl-5-sulfamoyl-2-sulfanyl-benzoic acid

Systemtic Name: 3-(1-methylpyrrolidin-3-yl)-4-phenyl-5-sulfamoyl-2-sulfanyl-benzoic acid Openeye Name: 3-(1-methylpyrrolidin-3-yl)-4-phenyl-5-sulfamoyl-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-3-(1-methyl-3-pyrrolidinyl)-4-phenyl-5-sulfamoylbenzoic acid IUPAC Name: 3-(1-methylpyrrolidin-3-yl)-4-phenyl-5-sulfamoyl-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-3-(1-methylpyrrolidin-3-yl)-4-phenyl-5-sulfamoyl-benzoic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)S

Isomeric SMILES

CN1CCC(C1)C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)S

InChI

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