N-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: N-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-20(29)26-23-12-14-24(15-13-23)32(30,31)28-18-16-27(17-19-28)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,25H,16-19H2,1H3,(H,26,29)/p+1