phenanthridin-6-ylmethyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: phenanthridin-6-ylmethyl 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid phenanthridin-6-ylmethyl ester Formula: C26H22ClN3O6S MolecularWeight: 539.98738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClN3O6S/c27-22-10-9-18(15-25(22)30(32)33)37(34,35)29-13-11-17(12-14-29)26(31)36-16-24-21-7-2-1-5-19(21)20-6-3-4-8-23(20)28-24/h1-10,15,17H,11-14,16H2