methyl 2-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OCC)C

Isomeric SMILES

CCN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC(=C(C=C2)OCC)C

InChI

InChI=1S/C21H26N2O6S/c1-5-23(30(26,27)16-11-12-19(29-6-2)15(3)13-16)14-20(24)22-18-10-8-7-9-17(18)21(25)28-4/h7-13H,5-6,14H2,1-4H3,(H,22,24)