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

Systemtic Name: methyl 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(=O)OC)C

InChI

InChI=1S/C17H25N3O5S/c1-13-4-5-15(14(2)10-13)26(23,24)20-8-6-19(7-9-20)12-16(21)18-11-17(22)25-3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,21)/p+1