4-chloranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzenesulfonamide Formula: C18H21ClN3O5S+ MolecularWeight: 426.89444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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