2-chloranyl-N-[(4-ethylphenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4-ethylphenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Openeye Name: 2-chloro-N-[(4-ethylphenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: 2-chloro-N-[(4-ethylphenyl)methyl]-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-methylbenzamide IUPAC Name: 2-chloro-N-[(4-ethylphenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: 2-chloro-N-(4-ethylbenzyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Formula: C23H31ClN3O3S+ MolecularWeight: 465.02854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

InChI

InChI=1S/C23H30ClN3O3S/c1-4-18-6-8-19(9-7-18)17-25(3)23(28)21-16-20(10-11-22(21)24)31(29,30)27-14-12-26(5-2)13-15-27/h6-11,16H,4-5,12-15,17H2,1-3H3/p+1