3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-one

Systemtic Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-one Openeye Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-one CAS Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-1-propanone IUPAC Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropan-1-one Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-propan-1-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-28(26,27)21-10-8-19(9-11-21)18-24-14-5-13-23(16-17-24)15-12-22(25)20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3