9-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-methoxy-5-piperidinosulfonyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C25H29NO6S MolecularWeight: 471.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5

InChI

InChI=1S/C25H29NO6S/c1-31-20-12-11-16(33(29,30)26-13-3-2-4-14-26)15-17(20)23-24-18(27)7-5-9-21(24)32-22-10-6-8-19(28)25(22)23/h11-12,15,23H,2-10,13-14H2,1H3