N-[(2S)-3-methylbutan-2-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-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:

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

Isomeric SMILES

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

InChI

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