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

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-1,4-benzoxazin-3-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O5S/c1-17-7-9-18(10-8-17)31(28,29)24-12-4-11-23(13-14-24)21(26)15-25-19-5-2-3-6-20(19)30-16-22(25)27/h2-3,5-10H,4,11-16H2,1H3