N-(phenylmethyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-(phenylmethyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-benzyl-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide CAS Name: N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Traditional Name: N-benzyl-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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