(4-butoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-(4-tosylpiperazino)methanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-3-4-17-28-20-9-7-19(8-10-20)22(25)23-13-15-24(16-14-23)29(26,27)21-11-5-18(2)6-12-21/h5-12H,3-4,13-17H2,1-2H3