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

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H30N4O3S/c22-16-18-8-6-7-11-20(18)29(27,28)25-14-12-24(13-15-25)21(26)17-23-19-9-4-2-1-3-5-10-19/h6-8,11,19,23H,1-5,9-10,12-15,17H2/p+1