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

Systemtic Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylpiperazin-1-yl)-1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-2-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-(4-methylpiperazino)-1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]ethanone Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCN(CC3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCN(CC3)C

InChI

InChI=1S/C21H34N4O3S/c1-4-18(2)19-5-7-20(8-6-19)29(27,28)25-15-13-24(14-16-25)21(26)17-23-11-9-22(3)10-12-23/h5-8,18H,4,9-17H2,1-3H3/t18-/m0/s1