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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c26-21(23-12-9-16-5-1-2-6-17(16)14-23)15-25-19-8-7-18(13-20(19)30-22(25)27)31(28,29)24-10-3-4-11-24/h1-2,5-8,13H,3-4,9-12,14-15H2