2-[[4-[(4-chlorophenyl)methylamino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[[4-[(4-chlorophenyl)methylamino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[[4-[(4-chlorophenyl)methylamino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[[4-[(4-chlorophenyl)methylamino]phenyl]methylthio]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[[4-[(4-chlorophenyl)methylamino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[[4-[(4-chlorobenzyl)amino]benzyl]thio]-3H-benzimidazole-5-sulfonic acid Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)CSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)CSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O)Cl

InChI

InChI=1S/C21H18ClN3O3S2/c22-16-5-1-14(2-6-16)12-23-17-7-3-15(4-8-17)13-29-21-24-19-10-9-18(30(26,27)28)11-20(19)25-21/h1-11,23H,12-13H2,(H,24,25)(H,26,27,28)