azepan-1-yl-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: azepan-1-yl-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: azepan-1-yl-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: 1-azepanyl-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: azepan-1-yl-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: azepan-1-yl-(5-mesyl-2-methyl-phenyl)methanone Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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