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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-anilinothiazol-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-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-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-anilinothiazol-4-yl)methyl ester Formula: C27H25ClN4O4S2 MolecularWeight: 569.0948

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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)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C27H25ClN4O4S2/c28-25-12-11-23(38(34,35)32-15-13-31(14-16-32)22-9-5-2-6-10-22)17-24(25)26(33)36-18-21-19-37-27(30-21)29-20-7-3-1-4-8-20/h1-12,17,19H,13-16,18H2,(H,29,30)