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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S2/c26-21(16-30-22(27)11-10-20-23-18-8-4-5-9-19(18)31-20)24-12-14-25(15-13-24)32(28,29)17-6-2-1-3-7-17/h1-9H,10-16H2