3-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 1-(4-mesyl-1,4-diazepan-1-yl)-3-(p-tolyl)propan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H24N2O3S/c1-14-4-6-15(7-5-14)8-9-16(19)17-10-3-11-18(13-12-17)22(2,20)21/h4-7H,3,8-13H2,1-2H3