4-chloranyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-nitro-benzenesulfonamide Formula: C17H25ClN3O5S+ MolecularWeight: 418.9155

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C17H24ClN3O5S/c18-15-5-4-14(12-16(15)21(22)23)27(24,25)19-13-17(6-2-1-3-7-17)20-8-10-26-11-9-20/h4-5,12,19H,1-3,6-11,13H2/p+1