5-(2-methoxyphenyl)-3-phenylsulfonyl-1-piperazin-1-yl-pentan-1-one; yttrium(3+)

Systemtic Name: 5-(2-methoxyphenyl)-3-phenylsulfonyl-1-piperazin-1-yl-pentan-1-one; yttrium(3+) Openeye Name: 5-(2-methoxyphenyl)-3-phenylsulfonyl-1-piperazin-1-yl-pentan-1-one; yttrium(3+) CAS Name: 5-(2-methoxyphenyl)-3-phenylsulfonyl-1-(1-piperazinyl)-1-pentanone; yttrium(3+) IUPAC Name: 5-(2-methoxyphenyl)-3-phenylsulfonyl-1-piperazin-1-ylpentan-1-one; yttrium(3+) Traditional Name: 5-(2-methoxyphenyl)-3-phenylsulfonyl-1-piperazino-pentan-1-one; yttrium(3+) Formula: C22H27N2O4SY+2 MolecularWeight: 504.43163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=[C-]C=C3.[Y+3]

Isomeric SMILES

COC1=CC=CC=C1CCC(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=[C-]C=C3.[Y+3]

InChI

InChI=1S/C22H27N2O4S.Y/c1-28-21-10-6-5-7-18(21)11-12-20(17-22(25)24-15-13-23-14-16-24)29(26,27)19-8-3-2-4-9-19;/h3-10,20,23H,11-17H2,1H3;/q-1;+3