(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-pyrimidin-2-yl-propanamide

Systemtic Name: (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-pyrimidin-2-yl-propanamide Openeye Name: (2S)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-pyrimidin-2-yl-propanamide CAS Name: (2S)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-(2-pyrimidinyl)propanamide IUPAC Name: (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-pyrimidin-2-ylpropanamide Traditional Name: (2S)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-N-(2-pyrimidyl)propionamide Formula: C21H24N5O3S+ MolecularWeight: 426.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=CC=N1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N5O3S/c1-16(20(27)24-21-22-9-4-10-23-21)25-11-13-26(14-12-25)30(28,29)19-8-7-17-5-2-3-6-18(17)15-19/h2-10,15-16H,11-14H2,1H3,(H,22,23,24,27)/p+1/t16-/m0/s1