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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzamide Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzamide CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methylbenzamide IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylbenzamide Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-benzamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-3-16-6-8-17(9-7-16)21(19,20)12-5-4-11(2)13(10-12)14(15)18/h4-5,10H,3,6-9H2,1-2H3,(H2,15,18)/p+1