6-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[[4-(1,2-benzoxazol-3-ylmethyl)-1-piperazinyl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-[4-(indoxazen-3-ylmethyl)piperazino]sulfonyl-3-methyl-1,3-benzoxazol-2-one Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=NOC5=CC=CC=C54)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=NOC5=CC=CC=C54)OC1=O

InChI

InChI=1S/C20H20N4O5S/c1-22-17-7-6-14(12-19(17)28-20(22)25)30(26,27)24-10-8-23(9-11-24)13-16-15-4-2-3-5-18(15)29-21-16/h2-7,12H,8-11,13H2,1H3