[3,7-bis(oxidanyl)naphthalen-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3,7-bis(oxidanyl)naphthalen-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,7-dihydroxy-2-naphthyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (3,7-dihydroxy-2-naphthalenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,7-dihydroxynaphthalen-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,7-dihydroxy-2-naphthyl)-(4-tosylpiperazino)methanone Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C4C=CC(=CC4=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C4C=CC(=CC4=C3)O)O

InChI

InChI=1S/C22H22N2O5S/c1-15-2-6-19(7-3-15)30(28,29)24-10-8-23(9-11-24)22(27)20-13-17-12-18(25)5-4-16(17)14-21(20)26/h2-7,12-14,25-26H,8-11H2,1H3