[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[5-(p-tolylmethylsulfinylmethyl)-2-furyl]methanone CAS Name: [5-[(4-methylphenyl)methylsulfinylmethyl]-2-furanyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]methanone Traditional Name: (4-benzylpiperazino)-[5-[(4-methylbenzyl)sulfinylmethyl]-2-furyl]methanone Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3S/c1-20-7-9-22(10-8-20)18-31(29)19-23-11-12-24(30-23)25(28)27-15-13-26(14-16-27)17-21-5-3-2-4-6-21/h2-12H,13-19H2,1H3