(2R)-N-(4-ethanoylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O4S/c1-18(25(30)26-23-10-7-20(8-11-23)19(2)29)27-13-15-28(16-14-27)33(31,32)24-12-9-21-5-3-4-6-22(21)17-24/h3-12,17-18H,13-16H2,1-2H3,(H,26,30)/p+1/t18-/m1/s1