1-[4-(1-chloranyl-4-methyl-isoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(1-chloranyl-4-methyl-isoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[(1-chloro-4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(1-chloro-4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(1-chloro-4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[(1-chloro-4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]ethanone Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-12-11-19-17(18)14-5-3-6-15(16(12)14)25(23,24)21-8-4-7-20(9-10-21)13(2)22/h3,5-6,11H,4,7-10H2,1-2H3