2-methylsulfonyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-methylsulfonyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-methylsulfonyl-propan-1-one CAS Name: 2-methylsulfonyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-methylsulfonylpropan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-mesyl-propan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H24N2O3S/c1-14(22(2,20)21)16(19)18-10-6-9-17(11-12-18)13-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3