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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H25N3O4S2/c27-22(25-13-10-17-6-2-3-7-18(17)15-25)16-31-23-24-20-14-19(8-9-21(20)30-23)32(28,29)26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13,15-16H2