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4-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

4-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name:4-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid
Openeye Name:4-(p-tolylsulfonyl)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid
CAS Name:4-(4-methylphenyl)sulfonyl-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid
IUPAC Name:4-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
Traditional Name:3-pyrrolidino-5-sulfamoyl-4-tosyl-benzoic acid
Formula: C18H20N2O6S2
MolecularWeight: 424.4912
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3


InChI

InChI=1S/C18H20N2O6S2/c1-12-4-6-14(7-5-12)27(23,24)17-15(20-8-2-3-9-20)10-13(18(21)22)11-16(17)28(19,25)26/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)(H2,19,25,26)


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