2-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-amino-1-[4-(5-isoquinolinylsulfonyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-amino-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)ethanone Traditional Name: 2-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]ethanone Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)CN

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)CN

InChI

InChI=1S/C16H20N4O3S/c17-11-16(21)19-7-2-8-20(10-9-19)24(22,23)15-4-1-3-13-12-18-6-5-14(13)15/h1,3-6,12H,2,7-11,17H2