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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl pentanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl pentanoate CAS Name: pentanoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl pentanoate Traditional Name: valeric acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=NC2=C(N1CCC)C=CC(=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCC(=O)OCC1=NC2=C(N1CCC)C=CC(=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H29N3O5S/c1-3-5-6-20(24)28-15-19-21-17-14-16(7-8-18(17)23(19)9-4-2)29(25,26)22-10-12-27-13-11-22/h7-8,14H,3-6,9-13,15H2,1-2H3