2-[4-chloranyl-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenoxy]ethanamide

Systemtic Name: 2-[4-chloranyl-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenoxy]ethanamide Openeye Name: 2-[4-chloro-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenoxy]acetamide CAS Name: 2-[4-chloro-2-methyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenoxy]acetamide IUPAC Name: 2-[4-chloro-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide Traditional Name: 2-[4-chloro-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenoxy]acetamide Formula: C18H22ClN4O4S+ MolecularWeight: 425.90968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-13-10-14(19)16(11-15(13)27-12-17(20)24)28(25,26)23-8-6-22(7-9-23)18-4-2-3-5-21-18/h2-5,10-11H,6-9,12H2,1H3,(H2,20,24)/p+1