1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 2-(2-quinolylsulfanyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 2-(2-quinolylthio)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c27-23(18-30-22-11-10-20-8-4-5-9-21(20)24-22)25-13-15-26(16-14-25)31(28,29)17-12-19-6-2-1-3-7-19/h1-12,17H,13-16,18H2/b17-12+