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

Systemtic Name: methyl 2-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]acetic acid methyl ester Formula: C17H26N3O6S+ MolecularWeight: 400.46984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(=O)OC

InChI

InChI=1S/C17H25N3O6S/c1-3-26-14-4-6-15(7-5-14)27(23,24)20-10-8-19(9-11-20)13-16(21)18-12-17(22)25-2/h4-7H,3,8-13H2,1-2H3,(H,18,21)/p+1