(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-13-18(14(2)28-20-13)12-27-19(24)16-4-6-17(7-5-16)29(25,26)22-10-8-21(9-11-22)15(3)23/h4-7H,8-12H2,1-3H3