1,3,6,7-tetramethoxy-4-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-xanthen-9-one

Systemtic Name: 1,3,6,7-tetramethoxy-4-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-xanthen-9-one Openeye Name: 1,3,6,7-tetramethoxy-4-[4-(m-tolyl)piperazin-1-yl]sulfonyl-xanthen-9-one CAS Name: 1,3,6,7-tetramethoxy-4-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-9-xanthenone IUPAC Name: 1,3,6,7-tetramethoxy-4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylxanthen-9-one Traditional Name: 1,3,6,7-tetramethoxy-4-[4-(m-tolyl)piperazino]sulfonyl-xanthone Formula: C28H30N2O8S MolecularWeight: 554.6114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C4=C3OC5=CC(=C(C=C5C4=O)OC)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C4=C3OC5=CC(=C(C=C5C4=O)OC)OC)OC)OC

InChI

InChI=1S/C28H30N2O8S/c1-17-7-6-8-18(13-17)29-9-11-30(12-10-29)39(32,33)28-24(37-5)16-23(36-4)25-26(31)19-14-21(34-2)22(35-3)15-20(19)38-27(25)28/h6-8,13-16H,9-12H2,1-5H3