2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-1-(3-methylpiperidino)ethanone Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCCC(C3)C

InChI

InChI=1S/C17H22N2O4S2/c1-3-25(21,22)13-6-7-15-14(9-13)18-17(23-15)24-11-16(20)19-8-4-5-12(2)10-19/h6-7,9,12H,3-5,8,10-11H2,1-2H3