1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

InChI

InChI=1S/C21H23N5O5S/c27-21(24-8-7-16-3-1-2-4-17(16)14-24)15-31-26-20-13-18(5-6-19(20)22-23-26)32(28,29)25-9-11-30-12-10-25/h1-6,13H,7-12,14-15H2