5-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-benzyl-1,2,4-oxadiazole CAS Name: 5-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-benzyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-3-benzyl-1,2,4-oxadiazole Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H29N5O3S/c26-29(27,24-10-6-1-2-7-11-24)25-14-12-23(13-15-25)17-20-21-19(22-28-20)16-18-8-4-3-5-9-18/h3-5,8-9H,1-2,6-7,10-17H2