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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CN(N=C4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CN(N=C4)C

InChI

InChI=1S/C19H23N5O5S/c1-3-24-17-5-4-15(30(26,27)23-6-8-28-9-7-23)10-16(17)21-18(24)13-29-19(25)14-11-20-22(2)12-14/h4-5,10-12H,3,6-9,13H2,1-2H3