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

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-4-nitro-benzenesulfonamide Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c22-21(23)17-5-7-18(8-6-17)27(24,25)19-13-15-1-3-16(4-2-15)14-20-9-11-26-12-10-20/h1-8,19H,9-14H2/p+1