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

Systemtic Name: 4-cyano-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-cyano-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-cyano-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-cyano-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c20-13-16-5-7-19(8-6-16)26(23,24)21-14-17-1-3-18(4-2-17)15-22-9-11-25-12-10-22/h1-8,21H,9-12,14-15H2/p+1