dimethyl 2-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O7S/c1-14(2)15-6-9-17(10-7-15)24(32(5,28)29)13-20(25)23-19-12-16(21(26)30-3)8-11-18(19)22(27)31-4/h6-12,14H,13H2,1-5H3,(H,23,25)