N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-(p-tolylsulfonylamino)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-(tosylamino)phenyl]-4-methyl-benzenesulfonamide Formula: C27H23N3O4S4 MolecularWeight: 581.74922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H23N3O4S4/c1-18-7-12-21(13-8-18)37(31,32)29-20-11-16-24(30-38(33,34)22-14-9-19(2)10-15-22)26(17-20)36-27-28-23-5-3-4-6-25(23)35-27/h3-17,29-30H,1-2H3