(2R)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: (2R)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: (2R)-2-(2-chloro-5-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one CAS Name: (2R)-2-(2-chloro-5-methylphenoxy)-1-(4-methylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: (2R)-2-(2-chloro-5-methylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: (2R)-2-(2-chloro-5-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=C(C=CC(=C2)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O4S/c1-4-14(23-15-11-12(2)5-6-13(15)17)16(20)18-7-9-19(10-8-18)24(3,21)22/h5-6,11,14H,4,7-10H2,1-3H3/t14-/m1/s1