1-[4-(4-methyl-4-oxidanyl-azepan-1-yl)sulfonylphenyl]ethanone

Systemtic Name: 1-[4-(4-methyl-4-oxidanyl-azepan-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[4-(4-hydroxy-4-methyl-azepan-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[4-[(4-hydroxy-4-methyl-1-azepanyl)sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-(4-hydroxy-4-methylazepan-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[4-(4-hydroxy-4-methyl-azepan-1-yl)sulfonylphenyl]ethanone Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)(C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)(C)O

InChI

InChI=1S/C15H21NO4S/c1-12(17)13-4-6-14(7-5-13)21(19,20)16-10-3-8-15(2,18)9-11-16/h4-7,18H,3,8-11H2,1-2H3