4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)butyramide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N4O5S2/c1-30-19-9-8-16(15-20(19)33(28,29)26-10-12-31-13-11-26)23-21(27)7-4-14-32-22-24-17-5-2-3-6-18(17)25-22/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,23,27)(H,24,25)