1-[5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-8-yl]ethanone

Systemtic Name: 1-[5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-8-yl]ethanone Openeye Name: 1-[5-(1,4-diazepan-1-ylsulfonyl)-8-isoquinolyl]ethanone CAS Name: 1-[5-(1,4-diazepan-1-ylsulfonyl)-8-isoquinolinyl]ethanone IUPAC Name: 1-[5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-8-yl]ethanone Traditional Name: 1-[5-(1,4-diazepan-1-ylsulfonyl)-8-isoquinolyl]ethanone Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=NC=CC2=C(C=C1)S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CC(=O)C1=C2C=NC=CC2=C(C=C1)S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C16H19N3O3S/c1-12(20)13-3-4-16(14-5-7-18-11-15(13)14)23(21,22)19-9-2-6-17-8-10-19/h3-5,7,11,17H,2,6,8-10H2,1H3