4-chloranyl-3-[[(4-propylphenyl)-thiophen-2-yl-methyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[(4-propylphenyl)-thiophen-2-yl-methyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[(4-propylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[(4-propylphenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[(4-propylphenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[(4-propylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C21H20ClNO4S2/c1-2-4-14-6-8-15(9-7-14)20(18-5-3-12-28-18)23-29(26,27)19-13-16(21(24)25)10-11-17(19)22/h3,5-13,20,23H,2,4H2,1H3,(H,24,25)