(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-phenylbutanoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-phenylbutanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CC(C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CC(C)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O5S/c1-3-11-28-23-10-9-21(34(30,31)27-12-14-32-15-13-27)17-22(23)26-24(28)18-33-25(29)16-19(2)20-7-5-4-6-8-20/h4-10,17,19H,3,11-16,18H2,1-2H3