(4-imidazol-1-ylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (4-imidazol-1-ylphenyl) 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (4-imidazol-1-ylphenyl) 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [4-(1-imidazolyl)phenyl] ester IUPAC Name: (4-imidazol-1-ylphenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (4-imidazol-1-ylphenyl) ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H21N3O5S/c1-16-2-7-19(30(26,27)24-10-12-28-13-11-24)14-20(16)21(25)29-18-5-3-17(4-6-18)23-9-8-22-15-23/h2-9,14-15H,10-13H2,1H3