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

Systemtic Name: [2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[4-(2-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H30ClN3O3S/c21-18-10-6-7-11-19(18)28(26,27)24-14-12-23(13-15-24)20(25)16-22-17-8-4-2-1-3-5-9-17/h6-7,10-11,17,22H,1-5,8-9,12-16H2/p+1