methyl 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-27-19(24)13-20-18(23)14-21-8-10-22(11-9-21)28(25,26)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,23)/p+1