3-butyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-butyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[[4-(2-naphthylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-5-[[4-(2-naphthylsulfonyl)piperazino]methyl]-1,2,4-oxadiazole Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H26N4O3S/c1-2-3-8-20-22-21(28-23-20)16-24-11-13-25(14-12-24)29(26,27)19-10-9-17-6-4-5-7-18(17)15-19/h4-7,9-10,15H,2-3,8,11-14,16H2,1H3