2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]-1-pyrrolidino-ethanone Formula: C18H23N3O4S2 MolecularWeight: 409.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCCC4

InChI

InChI=1S/C18H23N3O4S2/c22-17(20-8-4-5-9-20)13-26-18-19-15-12-14(6-7-16(15)25-18)27(23,24)21-10-2-1-3-11-21/h6-7,12H,1-5,8-11,13H2