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

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28ClN4O4S+ MolecularWeight: 480.00012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H27ClN4O4S/c23-20-8-7-19(32(30,31)27-9-1-2-10-27)15-21(20)24-22(29)16-25-11-13-26(14-12-25)17-3-5-18(28)6-4-17/h3-8,15,28H,1-2,9-14,16H2,(H,24,29)/p+1