2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H27N3O3S/c29-25(19-26-12-11-21-6-2-4-8-23(21)18-26)27-13-15-28(16-14-27)32(30,31)24-10-9-20-5-1-3-7-22(20)17-24/h1-10,17H,11-16,18-19H2