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

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C27H26N4O4S2 MolecularWeight: 534.64974

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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)NC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4S2/c32-26(35-19-23-20-36-27(29-23)28-22-9-3-1-4-10-22)21-8-7-13-25(18-21)37(33,34)31-16-14-30(15-17-31)24-11-5-2-6-12-24/h1-13,18,20H,14-17,19H2,(H,28,29)