2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c27-23(19-24-12-10-21-8-4-5-9-22(21)18-24)25-13-15-26(16-14-25)30(28,29)17-11-20-6-2-1-3-7-20/h1-9,11,17H,10,12-16,18-19H2/b17-11+