3-[4-(azepan-1-ylsulfonyl)phenoxy]propanal

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenoxy]propanal Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenoxy]propanal CAS Name: 3-[4-(1-azepanylsulfonyl)phenoxy]propanal IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenoxy]propanal Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenoxy]propionaldehyde Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCCC=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCCC=O

InChI

InChI=1S/C15H21NO4S/c17-12-5-13-20-14-6-8-15(9-7-14)21(18,19)16-10-3-1-2-4-11-16/h6-9,12H,1-5,10-11,13H2