2-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethoxy]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-31(28,29)18-9-7-17(8-10-18)15-24-11-4-12-25(14-13-24)21(26)16-30-20-6-3-2-5-19(20)22(23)27/h2-3,5-10H,4,11-16H2,1H3,(H2,23,27)