2-[4-(phenylmethyl)piperazin-1-yl]sulfonylanthracene-9,10-dione

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]sulfonylanthracene-9,10-dione Openeye Name: 2-(4-benzylpiperazin-1-yl)sulfonylanthracene-9,10-dione CAS Name: 2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]anthracene-9,10-dione IUPAC Name: 2-(4-benzylpiperazin-1-yl)sulfonylanthracene-9,10-dione Traditional Name: 2-(4-benzylpiperazino)sulfonyl-9,10-anthraquinone Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22N2O4S/c28-24-20-8-4-5-9-21(20)25(29)23-16-19(10-11-22(23)24)32(30,31)27-14-12-26(13-15-27)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2