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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-methoxy-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-methoxy-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-methoxyisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-methoxyisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-methoxy-isoquinoline Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

Isomeric SMILES

COC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C15H19N3O3S/c1-21-15-13-4-2-5-14(12(13)6-8-17-15)22(19,20)18-10-3-7-16-9-11-18/h2,4-6,8,16H,3,7,9-11H2,1H3