[2-(1,3-benzothiazol-2-yl)phenyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C22H16ClNO4S2 MolecularWeight: 457.94974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)CCS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)CCS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClNO4S2/c23-15-9-11-16(12-10-15)30(26,27)14-13-21(25)28-19-7-3-1-5-17(19)22-24-18-6-2-4-8-20(18)29-22/h1-12H,13-14H2