4-[[5-methyl-4-[4-(trioxidanylsulfanyl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[5-methyl-4-[4-(trioxidanylsulfanyl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[5-methyl-4-[4-(trioxidanylsulfanyl)phenyl]thiazol-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[5-methyl-4-[4-(trioxidanylthio)phenyl]-2-thiazolyl]amino]benzenesulfonic acid IUPAC Name: 4-[[5-methyl-4-[4-(trioxidanylsulfanyl)phenyl]-1,3-thiazol-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[5-methyl-4-[4-(trioxidanylthio)phenyl]thiazol-2-yl]amino]besylic acid Formula: C16H14N2O6S3 MolecularWeight: 426.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)SOOO

Isomeric SMILES

CC1=C(N=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)SOOO

InChI

InChI=1S/C16H14N2O6S3/c1-10-15(11-2-6-13(7-3-11)26-24-23-19)18-16(25-10)17-12-4-8-14(9-5-12)27(20,21)22/h2-9,19H,1H3,(H,17,18)(H,20,21,22)