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

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-methylcyclohexyl)benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-methylcyclohexyl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(4-methylcyclohexyl)benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-methylcyclohexyl)benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-methylcyclohexyl)benzamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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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)NC3CCC(CC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCC(CC3)C

InChI

InChI=1S/C20H30ClN3O3S/c1-3-23-10-12-24(13-11-23)28(26,27)17-8-9-19(21)18(14-17)20(25)22-16-6-4-15(2)5-7-16/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,22,25)/p+1