2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-propylphenyl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-propylphenyl)benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-propylphenyl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(4-propylphenyl)benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-propylphenyl)benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-propylphenyl)benzamide Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-3-5-17-6-8-18(9-7-17)24-22(27)20-16-19(10-11-21(20)23)30(28,29)26-14-12-25(4-2)13-15-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)/p+1