1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H23N3O5S2/c26-21(24-8-7-16-3-1-2-4-17(16)14-24)15-31-22-23-19-13-18(5-6-20(19)30-22)32(27,28)25-9-11-29-12-10-25/h1-6,13H,7-12,14-15H2