4-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O5S/c1-32(29,30)19-9-7-18(8-10-19)15-24-11-4-12-25(14-13-24)22(27)16-26-20-5-2-3-6-21(20)31-17-23(26)28/h2-3,5-10H,4,11-17H2,1H3