1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-butan-1-one CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-fluorophenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-4-(4-fluorophenyl)sulfonyl-butan-1-one Formula: C22H23ClFN3O4S2 MolecularWeight: 512.017123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23ClFN3O4S2/c1-31-18-9-8-17(23)21-20(18)25-22(32-21)27-12-10-26(11-13-27)19(28)3-2-14-33(29,30)16-6-4-15(24)5-7-16/h4-9H,2-3,10-14H2,1H3