4-methyl-3-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: 4-methyl-3-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoylamino]benzoate Openeye Name: 4-methyl-3-[[2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-1-oxoethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetyl]amino]benzoate Formula: C21H19N2O6S2- MolecularWeight: 459.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O6S2/c1-14-5-6-15(21(25)26)12-18(14)22-19(24)13-29-17-9-7-16(8-10-17)23(2)31(27,28)20-4-3-11-30-20/h3-12H,13H2,1-2H3,(H,22,24)(H,25,26)/p-1