2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(3-mesylphenyl)acetamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-33(31,32)24-14-8-13-23(19-24)27-25(30)20-28-15-17-29(18-16-28)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,26H,15-18,20H2,1H3,(H,27,30)/p+1