2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-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)NC3CCCCC3C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N[C@H]3CCCC[C@H]3C

InChI

InChI=1S/C20H30ClN3O3S/c1-3-23-10-12-24(13-11-23)28(26,27)16-8-9-18(21)17(14-16)20(25)22-19-7-5-4-6-15(19)2/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,22,25)/p+1/t15-,19+/m1/s1