methyl 2-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C13H19ClN3O5S2+ MolecularWeight: 396.89006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C13H18ClN3O5S2/c1-22-12(19)8-15-11(18)9-16-4-6-17(7-5-16)24(20,21)13-3-2-10(14)23-13/h2-3H,4-9H2,1H3,(H,15,18)/p+1