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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)S(=O)(=O)N5CCCCC5

InChI

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