3-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 3-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 3-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-amino-1-[4-(5-isoquinolinylsulfonyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-amino-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 3-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c18-7-5-17(22)20-9-2-10-21(12-11-20)25(23,24)16-4-1-3-14-13-19-8-6-15(14)16/h1,3-4,6,8,13H,2,5,7,9-12,18H2