2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c27-20-6-4-19(5-7-20)25-10-8-24(9-11-25)17-22(28)23-18-2-1-3-21(16-18)32(29,30)26-12-14-31-15-13-26/h1-7,16,27H,8-15,17H2,(H,23,28)/p+1