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

Systemtic Name: 4-butoxy-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-butoxy-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-butoxy-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-butoxy-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-butoxy-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N2CCC(C2)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N2CCC(C2)C

InChI

InChI=1S/C16H24N2O5S/c1-3-4-7-23-15-13(18-6-5-11(2)10-18)8-12(16(19)20)9-14(15)24(17,21)22/h8-9,11H,3-7,10H2,1-2H3,(H,19,20)(H2,17,21,22)