1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanone

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanone Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanone CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]ethanone IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]ethanone Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]ethanone Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NO3S/c1-12-7-8-14(13(2)17)11-15(12)20(18,19)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3