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

Systemtic Name: N-[(2S)-butan-2-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-3-16(2)21-20(24)15-22-10-12-23(13-11-22)27(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1