1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(4-mesylphenyl)-1,4-diazepan-1-yl]ethanone Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H20N2O3S/c1-12(17)15-8-3-9-16(11-10-15)13-4-6-14(7-5-13)20(2,18)19/h4-7H,3,8-11H2,1-2H3