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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-piperidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-[oxo(1-piperidinyl)methyl]benzenesulfonamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N3CCCCC3

InChI

InChI=1S/C19H20ClN3O6S/c1-29-18-8-6-14(12-15(18)19(24)22-9-3-2-4-10-22)30(27,28)21-17-11-13(23(25)26)5-7-16(17)20/h5-8,11-12,21H,2-4,9-10H2,1H3