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

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Openeye Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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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)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S2/c1-31(27,28)22-10-8-21(9-11-22)18-24-13-5-14-25(16-15-24)23(26)19-32(29,30)17-12-20-6-3-2-4-7-20/h2-4,6-12,17H,5,13-16,18-19H2,1H3