methyl 3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoate Openeye Name: methyl 3-[N-(p-tolylsulfonyl)anilino]propanoate CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(4-methylphenyl)sulfonylanilino)propanoate Traditional Name: 3-(N-tosylanilino)propionic acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S/c1-14-8-10-16(11-9-14)23(20,21)18(13-12-17(19)22-2)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3