(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C27H24ClN3O4S2 MolecularWeight: 554.08016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O4S2/c28-25-12-11-23(37(33,34)31-15-13-30(14-16-31)22-9-5-2-6-10-22)17-24(25)27(32)35-18-21-19-36-26(29-21)20-7-3-1-4-8-20/h1-12,17,19H,13-16,18H2