1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H19NO3S/c1-12(16)13-6-8-14(9-7-13)19(17,18)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3