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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-(1-piperidylsulfonyl)-1,3-benzoxazol-2-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-piperidinosulfonyl-1,3-benzoxazol-2-one Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H25N3O5S/c27-22(24-13-10-17-6-2-3-7-18(17)15-24)16-26-20-9-8-19(14-21(20)31-23(26)28)32(29,30)25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13,15-16H2