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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCCN1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

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