[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(2-chloranylpyridin-3-yl)methanone

Systemtic Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(2-chloranylpyridin-3-yl)methanone Openeye Name: (2-chloro-3-pyridyl)-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-(2-chloro-3-pyridinyl)methanone IUPAC Name: [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(2-chloropyridin-3-yl)methanone Traditional Name: (2-chloro-3-pyridyl)-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]methanone Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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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=C(N=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-3-15(2)16-6-8-17(9-7-16)28(26,27)24-13-11-23(12-14-24)20(25)18-5-4-10-22-19(18)21/h4-10,15H,3,11-14H2,1-2H3/t15-/m0/s1