(2S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: (2S)-1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: (2S)-1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: (2S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: (2S)-1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-(phenylthio)propan-1-one Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O4S2/c1-13-17(14(2)25-19-13)27(23,24)21-11-9-20(10-12-21)18(22)15(3)26-16-7-5-4-6-8-16/h4-8,15H,9-12H2,1-3H3/t15-/m0/s1