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

Systemtic Name: 9-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H27NO6S/c1-30-18-11-10-15(14-21(18)32(28,29)25-12-2-3-13-25)22-23-16(26)6-4-8-19(23)31-20-9-5-7-17(27)24(20)22/h10-11,14,22H,2-9,12-13H2,1H3