6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzoxazol-2-one

Systemtic Name: 6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzoxazol-2-one Openeye Name: 3-isopropyl-6-[[2-(1-piperidylmethyl)-1-piperidyl]sulfonyl]-1,3-benzoxazol-2-one CAS Name: 6-[[2-(1-piperidinylmethyl)-1-piperidinyl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one IUPAC Name: 6-[2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzoxazol-2-one Traditional Name: 3-isopropyl-6-[2-(piperidinomethyl)piperidino]sulfonyl-1,3-benzoxazol-2-one Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3CN4CCCCC4)OC1=O

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3CN4CCCCC4)OC1=O

InChI

InChI=1S/C21H31N3O4S/c1-16(2)24-19-10-9-18(14-20(19)28-21(24)25)29(26,27)23-13-7-4-8-17(23)15-22-11-5-3-6-12-22/h9-10,14,16-17H,3-8,11-13,15H2,1-2H3