ethyl 3-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[2-(4-methoxy-N-methylsulfonyl-anilino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[2-(N-mesyl-4-methoxy-anilino)propanoylamino]-4-methyl-benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

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