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

Systemtic Name: 3-(2-methylpyrrolidin-1-yl)-4-phenyl-5-sulfamoyl-2-sulfooxy-benzoic acid Openeye Name: 3-(2-methylpyrrolidin-1-yl)-4-phenyl-5-sulfamoyl-2-sulfooxy-benzoic acid CAS Name: 3-(2-methyl-1-pyrrolidinyl)-4-phenyl-5-sulfamoyl-2-sulfooxybenzoic acid IUPAC Name: 3-(2-methylpyrrolidin-1-yl)-4-phenyl-5-sulfamoyl-2-sulfooxybenzoic acid Traditional Name: 3-(2-methylpyrrolidino)-4-phenyl-5-sulfamoyl-2-sulfoxy-benzoic acid Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC1CCCN1C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C18H20N2O8S2/c1-11-6-5-9-20(11)16-15(12-7-3-2-4-8-12)14(29(19,23)24)10-13(18(21)22)17(16)28-30(25,26)27/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,21,22)(H2,19,23,24)(H,25,26,27)