[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O5S2/c30-24(28-14-16-29(17-15-28)36(32,33)19-8-2-1-3-9-19)18-34-26(31)21-11-5-4-10-20(21)25-27-22-12-6-7-13-23(22)35-25/h1-13H,14-18H2