N-(4-chlorophenyl)-2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N-(4-chlorophenyl)-2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N-(4-chlorophenyl)-2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N-(4-chlorophenyl)-2-[(4-cyanophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(4-chlorophenyl)-2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-chlorophenyl)-2-[(4-cyanobenzyl)thio]-1,3-benzoxazole-5-sulfonamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H14ClN3O3S2/c22-16-5-7-17(8-6-16)25-30(26,27)18-9-10-20-19(11-18)24-21(28-20)29-13-15-3-1-14(12-23)2-4-15/h1-11,25H,13H2