5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzoate

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzoate Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzoate CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methylbenzoate IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylbenzoate Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzoate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-3-15-6-8-16(9-7-15)21(19,20)12-5-4-11(2)13(10-12)14(17)18/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)