4-chloranyl-3-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(p-tolylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[4-(tosylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H21ClN2O5S2 MolecularWeight: 505.00624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C23H21ClN2O5S2/c1-14-3-10-19(11-4-14)33(30,31)26-17-6-8-18(9-7-17)32-15(2)22(27)25-21-13-16(23(28)29)5-12-20(21)24/h3-13,15,26H,1-2H3,(H,25,27)(H,28,29)