1-[4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]phenyl]ethanone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28N2O3S/c1-4-17(2)19-7-11-22(12-8-19)28(26,27)24-15-13-23(14-16-24)21-9-5-20(6-10-21)18(3)25/h5-12,17H,4,13-16H2,1-3H3/t17-/m0/s1