(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenoxy-butan-1-one

Systemtic Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenoxy-butan-1-one Openeye Name: (2R)-2-phenoxy-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: (2R)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-phenoxy-1-butanone IUPAC Name: (2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenoxybutan-1-one Traditional Name: (2R)-2-phenoxy-1-(4-tosylpiperazino)butan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-3-20(27-18-7-5-4-6-8-18)21(24)22-13-15-23(16-14-22)28(25,26)19-11-9-17(2)10-12-19/h4-12,20H,3,13-16H2,1-2H3/t20-/m1/s1