(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (1S,2R)-2-methylcyclopropanecarboxylate CAS Name: (1S,2R)-2-methyl-1-cyclopropanecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-methylcyclopropanecarboxylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4CC4C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)[C@H]4C[C@H]4C

InChI

InChI=1S/C20H27N3O5S/c1-3-6-23-18-5-4-15(29(25,26)22-7-9-27-10-8-22)12-17(18)21-19(23)13-28-20(24)16-11-14(16)2/h4-5,12,14,16H,3,6-11,13H2,1-2H3/t14-,16+/m1/s1