1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-(1-phenyltetrazol-5-yl)piperazino]sulfonylazepane Formula: C17H25N7O2S MolecularWeight: 391.4911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H25N7O2S/c25-27(26,22-10-6-1-2-7-11-22)23-14-12-21(13-15-23)17-18-19-20-24(17)16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2