1-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one

Systemtic Name: 1-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one Openeye Name: 4-(benzenesulfonyl)-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(benzenesulfonyl)-1-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzenesulfonyl)-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-besyl-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O3S2/c22-17-8-4-9-18-20(17)23-21(29-18)25-13-11-24(12-14-25)19(26)10-5-15-30(27,28)16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2