N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28ClN4O5S+ MolecularWeight: 495.99952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O5S/c23-20-6-5-19(33(30,31)27-11-13-32-14-12-27)15-21(20)24-22(29)16-25-7-9-26(10-8-25)17-1-3-18(28)4-2-17/h1-6,15,28H,7-14,16H2,(H,24,29)/p+1