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

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2-quinolylthio)ethanone Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c26-22(16-29-21-11-10-19-8-4-5-9-20(19)23-21)24-12-14-25(15-13-24)30(27,28)17-18-6-2-1-3-7-18/h1-11H,12-17H2