N-[2-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-N-(phenylmethyl)methanesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[2-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide CAS Name: N-[2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[2-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Traditional Name: N-benzyl-N-[2-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C

InChI

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