2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(4-mesyl-1,4-diazepan-1-yl)ethanone Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O4S/c1-15(23)22-11-8-16-6-3-4-7-17(16)18(22)14-19(24)20-9-5-10-21(13-12-20)27(2,25)26/h3-4,6-8,11,18H,5,9-10,12-14H2,1-2H3