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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-cyclopentylethanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CC4CCCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CC4CCCC4

InChI

InChI=1S/C22H31N3O5S/c1-2-9-25-20-8-7-18(31(27,28)24-10-12-29-13-11-24)15-19(20)23-21(25)16-30-22(26)14-17-5-3-4-6-17/h7-8,15,17H,2-6,9-14,16H2,1H3