1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4COC3=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4COC3=O

InChI

InChI=1S/C21H24N2O6S/c1-27-17-7-8-19(28-2)20(13-17)30(25,26)22-11-9-16(10-12-22)23-18-6-4-3-5-15(18)14-29-21(23)24/h3-8,13,16H,9-12,14H2,1-2H3