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

Systemtic Name: 2-chloranyl-N-(2-ethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-(2-ethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-(2-ethoxyphenyl)-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-(2-ethoxyphenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-o-phenetyl-benzamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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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)NC3=CC=CC=C3OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C21H26ClN3O4S/c1-3-24-11-13-25(14-12-24)30(27,28)16-9-10-18(22)17(15-16)21(26)23-19-7-5-6-8-20(19)29-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)/p+1