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

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-N-(2-methylpropyl)benzamide Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-isobutyl-2-methyl-benzamide CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methyl-N-(2-methylpropyl)benzamide IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-N-(2-methylpropyl)benzamide Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-isobutyl-2-methyl-benzamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-5-20-8-10-21(11-9-20)25(23,24)16-7-6-15(4)17(12-16)18(22)19-13-14(2)3/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,19,22)/p+1