N-phenethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c30-26(29-19-17-28(18-20-29)21-23-9-5-2-6-10-23)24-11-13-25(14-12-24)33(31,32)27-16-15-22-7-3-1-4-8-22/h1-14,27H,15-21H2/p+1