methyl 4-methyl-3-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[methylsulfonyl(naphthalen-1-yl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[methylsulfonyl(1-naphthyl)amino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[methylsulfonyl(1-naphthalenyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[mesyl(1-naphthyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C22H22N2O5S/c1-15-11-12-17(22(26)29-2)13-19(15)23-21(25)14-24(30(3,27)28)20-10-6-8-16-7-4-5-9-18(16)20/h4-13H,14H2,1-3H3,(H,23,25)