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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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