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

Systemtic Name: N-ethyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-ethyl-methanesulfonamide CAS Name: N-ethyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-ethylmethanesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-ethyl-methanesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-3-24(28(2,26)27)20-11-9-19(10-12-20)21(25)23-15-13-22(14-16-23)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3/p+1