5-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-2H-isoquinolin-1-one

Systemtic Name: 5-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-2H-isoquinolin-1-one Openeye Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-2H-isoquinolin-1-one CAS Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-2H-isoquinolin-1-one IUPAC Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-2H-isoquinolin-1-one Traditional Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isocarbostyril Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C17H21N3O4S/c1-12-11-18-17(22)14-5-3-6-15(16(12)14)25(23,24)20-8-4-7-19(9-10-20)13(2)21/h3,5-6,11H,4,7-10H2,1-2H3,(H,18,22)