N-(5-chloranyl-2-piperidin-1-ylcarbonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(5-chloranyl-2-piperidin-1-ylcarbonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[5-chloro-2-[oxo(1-piperidinyl)methyl]phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6S/c19-12-4-6-14(18(24)21-8-2-1-3-9-21)15(10-12)20-29(27,28)13-5-7-17(23)16(11-13)22(25)26/h4-7,10-11,20,23H,1-3,8-9H2