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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-4-methyl-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-4-methyl-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-4-methylisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-4-methylisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-hexoxy-4-methyl-isoquinoline Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=C(C2=C1C=CC=C2S(=O)(=O)N3CCCNCC3)C

Isomeric SMILES

CCCCCCOC1=NC=C(C2=C1C=CC=C2S(=O)(=O)N3CCCNCC3)C

InChI

InChI=1S/C21H31N3O3S/c1-3-4-5-6-15-27-21-18-9-7-10-19(20(18)17(2)16-23-21)28(25,26)24-13-8-11-22-12-14-24/h7,9-10,16,22H,3-6,8,11-15H2,1-2H3