5-[(6-pentyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(6-pentyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(6-pentyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(6-pentyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(6-pentyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6-amyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H27N3O2S/c1-2-3-4-6-16-13-21-11-12-22(15-16)25(23,24)19-8-5-7-17-14-20-10-9-18(17)19/h5,7-10,14,16,21H,2-4,6,11-13,15H2,1H3