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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO4S2/c1-3-15-7-10-16(11-8-15)20(18-5-4-12-27-18)22-28(25,26)19-13-17(21(23)24)9-6-14(19)2/h4-13,20,22H,3H2,1-2H3,(H,23,24)