4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-styryl]sulfonylpiperazino]butan-1-one Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c27-23(12-6-11-22-24-20-9-4-5-10-21(20)30-22)25-14-16-26(17-15-25)31(28,29)18-13-19-7-2-1-3-8-19/h1-5,7-10,13,18H,6,11-12,14-17H2/b18-13+