1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H31N3O4S/c30-25(28-18-14-21(15-19-28)26-27-23-6-2-3-7-24(23)33-26)13-10-20-8-11-22(12-9-20)34(31,32)29-16-4-1-5-17-29/h2-3,6-9,11-12,21H,1,4-5,10,13-19H2