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

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propan-1-one Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propan-1-one CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-propanone IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propan-1-one Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]propan-1-one Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-3-15(18)14-9-8-13(2)16(12-14)21(19,20)17-10-6-4-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3