(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CN(C)C4=NC=CC=N4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CN(C)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O5S/c1-3-9-28-19-6-5-17(34(30,31)27-10-12-32-13-11-27)14-18(19)25-20(28)16-33-21(29)15-26(2)22-23-7-4-8-24-22/h4-8,14H,3,9-13,15-16H2,1-2H3