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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-18-14-21(24-31-18)17-30-23(27)20-8-5-9-22(15-20)32(28,29)26-12-10-25(11-13-26)16-19-6-3-2-4-7-19/h2-9,14-15H,10-13,16-17H2,1H3