3-chloranyl-N-[4-(2-hydroxyethyl)-4-oxidanidyl-piperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(2-hydroxyethyl)-4-oxidanidyl-piperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxamide Openeye Name: 3-chloro-N-[4-(2-hydroxyethyl)-4-oxido-piperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxamide CAS Name: 3-chloro-N-[[4-(2-hydroxyethyl)-4-oxido-1-piperazin-4-iumyl]sulfinyl]-5-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 3-chloro-N-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]sulfinyl-5-methyl-6-oxocyclohexa-2,4-diene-1-carboxamide Traditional Name: 3-chloro-N-[4-(2-hydroxyethyl)-4-oxido-piperazin-4-ium-1-yl]sulfinyl-6-keto-5-methyl-cyclohexa-2,4-diene-1-carboxamide Formula: C14H20ClN3O5S MolecularWeight: 377.8437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(C1=O)C(=O)NS(=O)N2CC[N+](CC2)(CCO)[O-])Cl

Isomeric SMILES

CC1=CC(=CC(C1=O)C(=O)NS(=O)N2CC[N+](CC2)(CCO)[O-])Cl

InChI

InChI=1S/C14H20ClN3O5S/c1-10-8-11(15)9-12(13(10)20)14(21)16-24(23)17-2-4-18(22,5-3-17)6-7-19/h8-9,12,19H,2-7H2,1H3,(H,16,21)