6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[4-(4-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H25N3O4S/c1-16-3-5-17(6-4-16)14-23-9-2-10-24(12-11-23)29(26,27)18-7-8-20-19(13-18)22-21(25)15-28-20/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)