2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4S2/c1-2-31(27,28)19-8-9-21-20(15-19)24-23(29-21)30-16-22(26)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3