ethyl 4-[2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-isopropoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-isopropoxy-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-5-28-21(25)16-6-8-17(9-7-16)22-20(24)14-23(30(4,26)27)18-10-12-19(13-11-18)29-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,24)