[4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-(4-thiophen-2-yl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] ester Formula: C22H17N3O4S2 MolecularWeight: 451.51808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H17N3O4S2/c1-15(26)24-17-6-10-19(11-7-17)31(27,28)29-18-8-4-16(5-9-18)22-23-13-12-20(25-22)21-3-2-14-30-21/h2-14H,1H3,(H,24,26)