6-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H24N2O5S/c1-27-16-8-6-15(7-9-16)19-5-3-2-4-12-23(19)29(25,26)17-10-11-20-18(13-17)22-21(24)14-28-20/h6-11,13,19H,2-5,12,14H2,1H3,(H,22,24)/t19-/m1/s1