5-(1,4-diazepan-1-ylsulfonyl)-8-ethanoyl-2H-isoquinolin-1-one

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-8-ethanoyl-2H-isoquinolin-1-one Openeye Name: 8-acetyl-5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one CAS Name: 8-acetyl-5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one IUPAC Name: 8-acetyl-5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one Traditional Name: 8-acetyl-5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C(=C(C=C1)S(=O)(=O)N3CCCNCC3)C=CNC2=O

Isomeric SMILES

CC(=O)C1=C2C(=C(C=C1)S(=O)(=O)N3CCCNCC3)C=CNC2=O

InChI

InChI=1S/C16H19N3O4S/c1-11(20)12-3-4-14(13-5-7-18-16(21)15(12)13)24(22,23)19-9-2-6-17-8-10-19/h3-5,7,17H,2,6,8-10H2,1H3,(H,18,21)