N-(4-morpholin-4-ylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(4-morpholinophenyl)acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S/c27-22(23-19-6-8-20(9-7-19)25-14-16-30-17-15-25)18-24-10-12-26(13-11-24)31(28,29)21-4-2-1-3-5-21/h1-9H,10-18H2,(H,23,27)/p+1