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

Systemtic Name: 4-chloranyl-3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(2-thienylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[4-(2-thienylsulfonylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C20H17ClN2O5S3 MolecularWeight: 497.00738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H17ClN2O5S3/c1-12(19(24)22-17-11-13(20(25)26)4-9-16(17)21)30-15-7-5-14(6-8-15)23-31(27,28)18-3-2-10-29-18/h2-12,23H,1H3,(H,22,24)(H,25,26)