(2S)-2-(4-chloranyl-3-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: (2S)-2-(4-chloranyl-3-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one CAS Name: (2S)-2-(4-chloro-3-methylphenoxy)-1-(4-methylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-(4-chloro-3-methylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-1-(4-mesylpiperazino)butan-1-one Formula: C16H23ClN2O4S MolecularWeight: 374.88282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C)OC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C)OC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C16H23ClN2O4S/c1-4-15(23-13-5-6-14(17)12(2)11-13)16(20)18-7-9-19(10-8-18)24(3,21)22/h5-6,11,15H,4,7-10H2,1-3H3/t15-/m0/s1