2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: N-phenyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: N-phenyl-2-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

InChI

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