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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5S/c1-3-6-25-18-5-4-16(31(27,28)24-7-9-29-10-8-24)11-17(18)22-19(25)14-30-20(26)15-12-21-23(2)13-15/h4-5,11-13H,3,6-10,14H2,1-2H3