6,7,8,9-tetrahydrodibenzofuran-2-yl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid 6,7,8,9-tetrahydrodibenzofuran-2-yl ester IUPAC Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid 6,7,8,9-tetrahydrodibenzofuran-2-yl ester Formula: C28H31N3O8S MolecularWeight: 569.62604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OC(=O)C4CCN(CC4)C5=C(C=C(C=C5)S(=O)(=O)N6CCOCC6)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OC(=O)C4CCN(CC4)C5=C(C=C(C=C5)S(=O)(=O)N6CCOCC6)[N+](=O)[O-]

InChI

InChI=1S/C28H31N3O8S/c32-28(38-20-5-8-27-23(17-20)22-3-1-2-4-26(22)39-27)19-9-11-29(12-10-19)24-7-6-21(18-25(24)31(33)34)40(35,36)30-13-15-37-16-14-30/h5-8,17-19H,1-4,9-16H2