2-[[4-[[4-butyl-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[[4-butyl-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[[4-butyl-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-pyrimidin-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[[4-butyl-6-[(2-ethoxy-2-oxoethyl)thio]-5-pyrimidinyl]methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[[4-butyl-6-(2-ethoxy-2-oxoethyl)sulfanylpyrimidin-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[[4-butyl-6-[(2-ethoxy-2-keto-ethyl)thio]pyrimidin-5-yl]methyl]phenyl]carbamoyl]besylic acid Formula: C26H29N3O6S2 MolecularWeight: 543.65496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC=N1)SCC(=O)OCC)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(C(=NC=N1)SCC(=O)OCC)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C26H29N3O6S2/c1-3-5-9-22-21(26(28-17-27-22)36-16-24(30)35-4-2)15-18-11-13-19(14-12-18)29-25(31)20-8-6-7-10-23(20)37(32,33)34/h6-8,10-14,17H,3-5,9,15-16H2,1-2H3,(H,29,31)(H,32,33,34)