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

Systemtic Name: 5-[(6-hexyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(6-hexyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(6-hexyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(6-hexyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6-hexyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCCC1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H29N3O2S/c1-2-3-4-5-7-17-14-22-12-13-23(16-17)26(24,25)20-9-6-8-18-15-21-11-10-19(18)20/h6,8-11,15,17,22H,2-5,7,12-14,16H2,1H3