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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S3/c25-19(14-29-20(26)15-30-21-22-17-8-4-5-9-18(17)31-21)23-10-12-24(13-11-23)32(27,28)16-6-2-1-3-7-16/h1-9H,10-15H2