N,N-diethyl-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O3S/c1-3-29(4-2)33(31,32)24-13-8-11-22(19-24)26(30)28-17-15-27(16-18-28)20-23-12-7-10-21-9-5-6-14-25(21)23/h5-14,19H,3-4,15-18,20H2,1-2H3/p+1