N,N-diethyl-2-[(4-ethylphenyl)methylsulfanyl]-1-propan-2-yl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-2-[(4-ethylphenyl)methylsulfanyl]-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-[(4-ethylphenyl)methylsulfanyl]-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[(4-ethylphenyl)methylthio]-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-2-[(4-ethylphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[(4-ethylbenzyl)thio]-1-isopropyl-benzimidazole-5-sulfonamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NC3=C(N2C(C)C)C=CC(=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NC3=C(N2C(C)C)C=CC(=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C23H31N3O2S2/c1-6-18-9-11-19(12-10-18)16-29-23-24-21-15-20(30(27,28)25(7-2)8-3)13-14-22(21)26(23)17(4)5/h9-15,17H,6-8,16H2,1-5H3