N'-(4-ethylphenyl)carbonyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide

Systemtic Name: N'-(4-ethylphenyl)carbonyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide Openeye Name: N'-(4-ethylbenzoyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide CAS Name: N'-[(4-ethylphenyl)-oxomethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzohydrazide IUPAC Name: N'-(4-ethylbenzoyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzohydrazide Traditional Name: N'-(4-ethylbenzoyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzohydrazide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H26N4O4S/c1-3-16-7-9-17(10-8-16)20(26)22-23-21(27)18-5-4-6-19(15-18)30(28,29)25-13-11-24(2)12-14-25/h4-10,15H,3,11-14H2,1-2H3,(H,22,26)(H,23,27)/p+1