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

Systemtic Name: 2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Openeye Name: N-isobutyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-methylpropyl)benzamide IUPAC Name: 2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-13(2)12-18-17(21)16-11-15(6-5-14(16)3)24(22,23)20-9-7-19(4)8-10-20/h5-6,11,13H,7-10,12H2,1-4H3,(H,18,21)/p+1