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

Systemtic Name: 4-butyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-butyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-butyl-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-butyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-butyl-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C16H24N2O4S MolecularWeight: 340.43776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N2CCC(C2)C

Isomeric SMILES

CCCCC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N2CCC(C2)C

InChI

InChI=1S/C16H24N2O4S/c1-3-4-5-13-14(18-7-6-11(2)10-18)8-12(16(19)20)9-15(13)23(17,21)22/h8-9,11H,3-7,10H2,1-2H3,(H,19,20)(H2,17,21,22)