3-[1-(4-methylsulfonylphenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(4-mesylphenyl)ethylamino]azepan-2-one Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2CCCCNC2=O

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2CCCCNC2=O

InChI

InChI=1S/C15H22N2O3S/c1-11(17-14-5-3-4-10-16-15(14)18)12-6-8-13(9-7-12)21(2,19)20/h6-9,11,14,17H,3-5,10H2,1-2H3,(H,16,18)