4-[1-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-2-yl]butan-1-amine

Systemtic Name: 4-[1-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-2-yl]butan-1-amine Openeye Name: 4-[1-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-2-yl]butan-1-amine CAS Name: 4-[1-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepan-2-yl]-1-butanamine IUPAC Name: 4-[1-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-2-yl]butan-1-amine Traditional Name: 4-[1-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-2-yl]butylamine Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3CCCCN

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3CCCCN

InChI

InChI=1S/C19H28N4O2S/c1-15-12-22-13-16-6-4-8-18(19(15)16)26(24,25)23-11-5-10-21-14-17(23)7-2-3-9-20/h4,6,8,12-13,17,21H,2-3,5,7,9-11,14,20H2,1H3