3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H25N3O5S/c27-22(24-13-9-17-5-1-2-6-18(17)16-24)10-14-26-20-8-7-19(15-21(20)31-23(26)28)32(29,30)25-11-3-4-12-25/h1-2,5-8,15H,3-4,9-14,16H2