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

Systemtic Name: 3-[[(4-propylphenyl)-thiophen-2-yl-methyl]sulfamoyl]benzoic acid Openeye Name: 3-[[(4-propylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid CAS Name: 3-[[(4-propylphenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[(4-propylphenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoic acid Traditional Name: 3-[[(4-propylphenyl)-(2-thienyl)methyl]sulfamoyl]benzoic acid Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S2/c1-2-5-15-9-11-16(12-10-15)20(19-8-4-13-27-19)22-28(25,26)18-7-3-6-17(14-18)21(23)24/h3-4,6-14,20,22H,2,5H2,1H3,(H,23,24)