2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C22H27N5O4S2 MolecularWeight: 489.61088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COCCCN1C=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H27N5O4S2/c1-31-14-4-9-26-17-23-24-22(26)32-16-21(28)25-10-12-27(13-11-25)33(29,30)20-8-7-18-5-2-3-6-19(18)15-20/h2-3,5-8,15,17H,4,9-14,16H2,1H3