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

Systemtic Name: 2-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: 2-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]benzoate Formula: C19H21N2O5S- MolecularWeight: 389.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-13(2)14-8-10-15(11-9-14)21(27(3,25)26)12-18(22)20-17-7-5-4-6-16(17)19(23)24/h4-11,13H,12H2,1-3H3,(H,20,22)(H,23,24)/p-1