(2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenoxy-butan-1-one

Systemtic Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenoxy-butan-1-one Openeye Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenoxy-butan-1-one CAS Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-phenoxy-1-butanone IUPAC Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenoxybutan-1-one Traditional Name: (2R)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-phenoxy-butan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-4-21(28-19-8-6-5-7-9-19)22(25)23-12-14-24(15-13-23)29(26,27)20-11-10-17(2)18(3)16-20/h5-11,16,21H,4,12-15H2,1-3H3/t21-/m1/s1