1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-butan-1-one Openeye Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonyl-butan-1-one CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(4-fluorophenyl)sulfonyl-1-butanone IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-fluorophenyl)sulfonylbutan-1-one Traditional Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-4-(4-fluorophenyl)sulfonyl-butan-1-one Formula: C23H26FN3O4S2 MolecularWeight: 491.598643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O4S2/c1-2-31-18-7-10-20-21(16-18)32-23(25-20)27-13-11-26(12-14-27)22(28)4-3-15-33(29,30)19-8-5-17(24)6-9-19/h5-10,16H,2-4,11-15H2,1H3