2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N4O4S2/c1-14-7-8-16(13-19(14)31(27,28)25-9-11-29-12-10-25)22-20(26)15(2)30-21-23-17-5-3-4-6-18(17)24-21/h3-8,13,15H,9-12H2,1-2H3,(H,22,26)(H,23,24)