2-chloranyl-N-(3-cyanophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-cyanophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-(3-cyanophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-(3-cyanophenyl)-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-(3-cyanophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-N-(3-cyanophenyl)-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H22ClN4O3S+ MolecularWeight: 433.93168

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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(=C3)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21ClN4O3S/c1-2-24-8-10-25(11-9-24)29(27,28)17-6-7-19(21)18(13-17)20(26)23-16-5-3-4-15(12-16)14-22/h3-7,12-13H,2,8-11H2,1H3,(H,23,26)/p+1