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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-phenoxy-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-phenoxy-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-phenoxyisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-phenoxyisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-phenoxy-isoquinoline Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S/c24-27(25,23-12-5-10-21-11-13-23)19-9-4-6-16-14-22-15-18(20(16)19)26-17-7-2-1-3-8-17/h1-4,6-9,14-15,21H,5,10-13H2