(2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O5S2/c1-17(27)25-10-12-26(13-11-25)33(29,30)21-9-5-8-19(14-21)23(28)31-15-20-16-32-22(24-20)18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3