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

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-methylbenzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methylbenzamide Traditional Name: 2-chloro-N-cyclohexyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-methyl-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)N(C)C3CCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C20H30ClN3O3S/c1-3-23-11-13-24(14-12-23)28(26,27)17-9-10-19(21)18(15-17)20(25)22(2)16-7-5-4-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3/p+1