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

Systemtic Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]-(4-pyridyl)methanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-3-16(2)17-4-6-19(7-5-17)27(25,26)23-14-12-22(13-15-23)20(24)18-8-10-21-11-9-18/h4-11,16H,3,12-15H2,1-2H3/t16-/m0/s1