1,3-benzothiazol-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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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=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O4S2/c29-25(32-18-24-26-22-11-4-5-12-23(22)33-24)19-7-6-10-21(17-19)34(30,31)28-15-13-27(14-16-28)20-8-2-1-3-9-20/h1-12,17H,13-16,18H2