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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-13-10-16(19-27-13)12-26-18(23)15-4-3-5-17(11-15)28(24,25)21-8-6-20(7-9-21)14(2)22/h3-5,10-11H,6-9,12H2,1-2H3