4-(cyclopentylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(cyclopentylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(cyclopentylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide CAS Name: 4-(cyclopentylamino)-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(cyclopentylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(cyclopentylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Formula: C18H29N4O5S+ MolecularWeight: 413.51166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c23-22(24)18-14-16(6-7-17(18)20-15-4-1-2-5-15)28(25,26)19-8-3-9-21-10-12-27-13-11-21/h6-7,14-15,19-20H,1-5,8-13H2/p+1