methyl 2-[2-[3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazol-2-yl]ethyl]benzoate

Systemtic Name: methyl 2-[2-[3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazol-2-yl]ethyl]benzoate Openeye Name: methyl 2-[2-[3-(p-tolylsulfonyl)-2H-1,3-benzothiazol-2-yl]ethyl]benzoate CAS Name: 2-[2-[3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazol-2-yl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazol-2-yl]ethyl]benzoate Traditional Name: 2-[2-(3-tosyl-2H-1,3-benzothiazol-2-yl)ethyl]benzoic acid methyl ester Formula: C24H23NO4S2 MolecularWeight: 453.57372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(SC3=CC=CC=C32)CCC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(SC3=CC=CC=C32)CCC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H23NO4S2/c1-17-11-14-19(15-12-17)31(27,28)25-21-9-5-6-10-22(21)30-23(25)16-13-18-7-3-4-8-20(18)24(26)29-2/h3-12,14-15,23H,13,16H2,1-2H3