[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl] butane-1-sulfonate

Systemtic Name: [4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl] butane-1-sulfonate Openeye Name: [4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)oxazol-5-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)oxazol-5-yl] ester Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=C(N=C(O1)N2C=CN=C2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCS(=O)(=O)OC1=C(N=C(O1)N2C=CN=C2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O4S/c1-3-4-11-26(22,23)25-16-15(13-5-7-14(18)8-6-13)20-17(24-16)21-10-9-19-12(21)2/h5-10H,3-4,11H2,1-2H3