5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxyisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxyisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-isoquinoline Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CCCCCCOC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C20H29N3O3S/c1-2-3-4-5-16-26-20-18-8-6-9-19(17(18)10-12-22-20)27(24,25)23-14-7-11-21-13-15-23/h6,8-10,12,21H,2-5,7,11,13-16H2,1H3