ethyl 3-[2-[(4-ethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(4-ethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-[N-(benzenesulfonyl)-4-ethyl-anilino]acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(N-besyl-4-ethyl-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OCC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OCC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5S/c1-4-20-14-16-21(17-15-20)28(34(31,32)22-10-7-6-8-11-22)18-25(29)27-24-13-9-12-23(19(24)3)26(30)33-5-2/h6-17H,4-5,18H2,1-3H3,(H,27,29)