2-chloranyl-N-(1-methylpiperidin-4-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(1-methylpiperidin-4-yl)-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-(1-methyl-4-piperidyl)-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-(1-methyl-4-piperidinyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-(1-methylpiperidin-4-yl)-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-(1-methyl-4-piperidyl)-5-nitro-benzenesulfonamide Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCC(CC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O4S/c1-15-6-4-9(5-7-15)14-21(19,20)12-8-10(16(17)18)2-3-11(12)13/h2-3,8-9,14H,4-7H2,1H3