5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(4-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCN1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H25N3O2S/c1-2-3-10-20-11-5-12-21(14-13-20)24(22,23)18-7-4-6-16-15-19-9-8-17(16)18/h4,6-9,15H,2-3,5,10-14H2,1H3