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

Systemtic Name: 2-chloranyl-N-[(4-chlorophenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Openeye Name: 2-chloro-N-[(4-chlorophenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: 2-chloro-N-[(4-chlorophenyl)methyl]-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-methylbenzamide IUPAC Name: 2-chloro-N-[(4-chlorophenyl)methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: 2-chloro-N-(4-chlorobenzyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Formula: C21H26Cl2N3O3S+ MolecularWeight: 471.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Cl2N3O3S/c1-3-25-10-12-26(13-11-25)30(28,29)18-8-9-20(23)19(14-18)21(27)24(2)15-16-4-6-17(22)7-5-16/h4-9,14H,3,10-13,15H2,1-2H3/p+1