1,3,6,7-tetramethoxy-4-(3-phenylpiperazin-1-yl)sulfonyl-xanthen-9-one

Systemtic Name: 1,3,6,7-tetramethoxy-4-(3-phenylpiperazin-1-yl)sulfonyl-xanthen-9-one Openeye Name: 1,3,6,7-tetramethoxy-4-(3-phenylpiperazin-1-yl)sulfonyl-xanthen-9-one CAS Name: 1,3,6,7-tetramethoxy-4-[(3-phenyl-1-piperazinyl)sulfonyl]-9-xanthenone IUPAC Name: 1,3,6,7-tetramethoxy-4-(3-phenylpiperazin-1-yl)sulfonylxanthen-9-one Traditional Name: 1,3,6,7-tetramethoxy-4-(3-phenylpiperazino)sulfonyl-xanthone Formula: C27H28N2O8S MolecularWeight: 540.58482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)OC)OC)S(=O)(=O)N4CCNC(C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)OC)OC)S(=O)(=O)N4CCNC(C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H28N2O8S/c1-33-20-12-17-19(13-21(20)34-2)37-26-24(25(17)30)22(35-3)14-23(36-4)27(26)38(31,32)29-11-10-28-18(15-29)16-8-6-5-7-9-16/h5-9,12-14,18,28H,10-11,15H2,1-4H3