(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-methylpentanoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-methylpentanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 4-methylpentanoate CAS Name: 4-methylpentanoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 4-methylpentanoate Traditional Name: 4-methylvaleric acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCC(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCC(C)C

InChI

InChI=1S/C20H29N3O5S/c1-4-23-18-7-6-16(29(25,26)22-9-11-27-12-10-22)13-17(18)21-19(23)14-28-20(24)8-5-15(2)3/h6-7,13,15H,4-5,8-12,14H2,1-3H3