cyclooctyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: cyclooctyl-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-cyclooctyl-ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O3S/c25-21(17-22-20-11-7-2-1-3-8-12-20)23-13-15-24(16-14-23)28(26,27)18-19-9-5-4-6-10-19/h4-6,9-10,20,22H,1-3,7-8,11-18H2/p+1