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

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-phenethylbenzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-phenethyl-benzamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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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)NCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O3S/c1-2-24-12-14-25(15-13-24)29(27,28)18-8-9-20(22)19(16-18)21(26)23-11-10-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,23,26)/p+1