3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-yl-pentane-1-sulfonic acid

Systemtic Name: 3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-yl-pentane-1-sulfonic acid Openeye Name: 3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-yl-pentane-1-sulfonic acid CAS Name: 3-(2-ethyl-10-phenoxazinyl)-1-(2-pyrimidinyl)-1-pentanesulfonic acid IUPAC Name: 3-(2-ethylphenoxazin-10-yl)-1-pyrimidin-2-ylpentane-1-sulfonic acid Traditional Name: 3-(2-ethylphenoxazin-10-yl)-1-(2-pyrimidyl)pentane-1-sulfonic acid Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=CC=CC=C3N2C(CC)CC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=CC=CC=C3N2C(CC)CC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C23H25N3O4S/c1-3-16-10-11-21-19(14-16)26(18-8-5-6-9-20(18)30-21)17(4-2)15-22(31(27,28)29)23-24-12-7-13-25-23/h5-14,17,22H,3-4,15H2,1-2H3,(H,27,28,29)