4-chloranyl-N-[(1R,2R)-2-piperazin-4-ium-1-ylcyclohexyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1R,2R)-2-piperazin-4-ium-1-ylcyclohexyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(1R,2R)-2-piperazin-4-ium-1-ylcyclohexyl]benzenesulfonamide CAS Name: 4-chloro-N-[(1R,2R)-2-(1-piperazin-4-iumyl)cyclohexyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(1R,2R)-2-piperazin-4-ium-1-ylcyclohexyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(1R,2R)-2-piperazin-4-ium-1-ylcyclohexyl]benzenesulfonamide Formula: C16H25ClN3O2S+ MolecularWeight: 358.9066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CC[NH2+]CC3

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CC[NH2+]CC3

InChI

InChI=1S/C16H24ClN3O2S/c17-13-5-7-14(8-6-13)23(21,22)19-15-3-1-2-4-16(15)20-11-9-18-10-12-20/h5-8,15-16,18-19H,1-4,9-12H2/p+1/t15-,16-/m1/s1