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

Systemtic Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-3-pyrazol-1-yl-propan-1-one CAS Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]-3-pyrazol-1-yl-propan-1-one Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CC=N3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C20H28N4O3S/c1-3-17(2)18-5-7-19(8-6-18)28(26,27)24-15-13-22(14-16-24)20(25)9-12-23-11-4-10-21-23/h4-8,10-11,17H,3,9,12-16H2,1-2H3/t17-/m0/s1