(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C23H32N4O6S MolecularWeight: 492.58838

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CN4CCCCCC4=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CN4CCCCCC4=O

InChI

InChI=1S/C23H32N4O6S/c1-2-9-27-20-8-7-18(34(30,31)26-11-13-32-14-12-26)15-19(20)24-21(27)17-33-23(29)16-25-10-5-3-4-6-22(25)28/h7-8,15H,2-6,9-14,16-17H2,1H3