1-[4-ethoxy-3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]ethanone Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H26N2O5S2/c1-3-29-21-9-7-17(16(2)26)13-18(21)15-31-23-24-20-14-19(8-10-22(20)30-23)32(27,28)25-11-5-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3