9-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-[4-(1-pyrrolidinylsulfonyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-pyrrolidinosulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5

InChI

InChI=1S/C23H25NO5S/c25-17-5-3-7-19-22(17)21(23-18(26)6-4-8-20(23)29-19)15-9-11-16(12-10-15)30(27,28)24-13-1-2-14-24/h9-12,21H,1-8,13-14H2