(E)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]but-2-en-1-one Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-4-6-18(21)19-11-13-20(14-12-19)24(22,23)17-9-7-16(8-10-17)15(3)5-2/h4,6-10,15H,5,11-14H2,1-3H3/b6-4+/t15-/m0/s1