3-methyl-N'-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbonyl-benzohydrazide

Systemtic Name: 3-methyl-N'-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]carbonyl-benzohydrazide Openeye Name: N'-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-3-methyl-benzohydrazide CAS Name: 3-methyl-N'-[oxo-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]methyl]benzohydrazide IUPAC Name: N'-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-3-methylbenzohydrazide Traditional Name: N'-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylbenzoyl]-3-methyl-benzohydrazide Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S/c1-20-6-5-9-23(18-20)26(32)28-27-25(31)22-10-12-24(13-11-22)35(33,34)30-16-14-29(15-17-30)19-21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,27,31)(H,28,32)/p+1