4-methyl-3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[4-(2-thienylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[4-(2-thienylsulfonylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S3/c1-13-5-6-15(21(25)26)12-18(13)22-20(24)14(2)30-17-9-7-16(8-10-17)23-31(27,28)19-4-3-11-29-19/h3-12,14,23H,1-2H3,(H,22,24)(H,25,26)