1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]-3-(3-pyridyl)propan-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-18(2)20-7-9-21(10-8-20)29(27,28)25-15-13-24(14-16-25)22(26)11-6-19-5-4-12-23-17-19/h4-5,7-10,12,17-18H,3,6,11,13-16H2,1-2H3/t18-/m0/s1