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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S2/c31-27(34-19-23-20-35-26(28-23)21-8-3-1-4-9-21)22-10-7-13-25(18-22)36(32,33)30-16-14-29(15-17-30)24-11-5-2-6-12-24/h1-13,18,20H,14-17,19H2