4-chloranyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Formula: C18H21ClN3O5S+ MolecularWeight: 426.89444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O5S/c19-16-7-6-15(12-18(16)22(23)24)28(25,26)20-17(14-4-2-1-3-5-14)13-21-8-10-27-11-9-21/h1-7,12,17,20H,8-11,13H2/p+1/t17-/m1/s1