1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-besyl-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-29(25,26)19-10-8-18(9-11-19)16-22-12-5-13-23(15-14-22)21(24)17-30(27,28)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3