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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-ethoxy-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-ethoxy-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-ethoxyisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-ethoxyisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-1-ethoxy-isoquinoline Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CCOC1=NC=CC2=C1C=CC=C2S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C16H21N3O3S/c1-2-22-16-14-5-3-6-15(13(14)7-9-18-16)23(20,21)19-11-4-8-17-10-12-19/h3,5-7,9,17H,2,4,8,10-12H2,1H3