1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-phenoxy-butan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-phenoxy-butan-1-one Openeye Name: 4-phenoxy-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-phenoxy-1-butanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-phenoxybutan-1-one Traditional Name: 4-phenoxy-1-(4-tosylpiperazino)butan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-18-9-11-20(12-10-18)28(25,26)23-15-13-22(14-16-23)21(24)8-5-17-27-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3