2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[(2S)-pentan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H29N3O3S/c1-3-6-17(2)22-21(25)16-23-11-13-24(14-12-23)28(26,27)20-10-9-18-7-4-5-8-19(18)15-20/h4-5,7-10,15,17H,3,6,11-14,16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1