(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S/c1-18-23(19(2)32-25-18)17-31-24(28)21-9-6-10-22(15-21)33(29,30)27-13-11-26(12-14-27)16-20-7-4-3-5-8-20/h3-10,15H,11-14,16-17H2,1-2H3