5-(1,4-diazepan-1-ylmethylsulfonyl)-2H-isoquinolin-1-one

Systemtic Name: 5-(1,4-diazepan-1-ylmethylsulfonyl)-2H-isoquinolin-1-one Openeye Name: 5-(1,4-diazepan-1-ylmethylsulfonyl)-2H-isoquinolin-1-one CAS Name: 5-(1,4-diazepan-1-ylmethylsulfonyl)-2H-isoquinolin-1-one IUPAC Name: 5-(1,4-diazepan-1-ylmethylsulfonyl)-2H-isoquinolin-1-one Traditional Name: 5-(1,4-diazepan-1-ylmethylsulfonyl)isocarbostyril Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CS(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1CNCCN(C1)CS(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C15H19N3O3S/c19-15-13-3-1-4-14(12(13)5-7-17-15)22(20,21)11-18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-11H2,(H,17,19)